Brazilian Journal of Pharmaceutical Sciences
type: channel
description: The Brazilian Journal of Pharmaceutical Sciences publishes manuscripts that significantly contribute to knowledge in all areas of Pharmaceutical Sciences. Submissions: Brazilian Journal of Pharmaceutical Sciences - BJPS www.scielo.br/bjps
publisher: Universidade de São Paulo. Faculdade de Ciências Farmacêuticas
language: en
publication name: Brazilian Journal of Pharmaceutical Sciences
issn: 1984-8250
copyright: All content of the journal, except where identified, is licensed under a Creative Commons attribution-type BY. The on-line journal has open and free access.
items: Current insights on human Papillomavirus-independent cervical cancers: a systematic review
items: Continuous airborne particle count in the pharmaceutical industrial environment: a fundamentals theoretical review
items: Clobetasol brazilian pilot study: the vasoconstrictor assay over time
items: Can idebenone protect gastric tissue against oxidative stress, inflammation, and necrosis?
items: Asparaginase-induced acute pancreatitis in children: unveiling predictive biomarkers for precision care
items: Antinuclear antibody (ANA) HEp-2 testing in patients with multiple myeloma
items: Antimicrobial stewardship program at a university hospital: an analysis of drug-related problems
items: Alginate wound dressing containing calendula extract: sterile and non-sterile properties evaluation
items: Profile of drugs used by university students for self-medication in times of the COVID-19 pandemic
items: Physiologically Based Pharmacokinetic and Physiologically Based Biopharmaceutic models research in Latin America
items: Personalized solutions for ENT implants
items: Monte Carlo simulation methods-based models for analyzing the kinetics of drug delivery from controlled release systems
items: Proton pump inhibitor leaflets
items: Medicines for the management of overweight and obesity
items: Neuropharmacological profile of new thiazepinone and thiazolidinone compounds designed by virtual screeningAuthorshipSCIMAGO INSTITUTIONS RANKINGS
items: Fractionation and separation of bioactive peptides using natural polymeric membrane
items: Analysis of the effectiveness of premedication in preventing early adverse reactions to antivenom serum from 2017 to 2021
items: Search for new antimicrobials against extended spectrum β-lactamase-positive Escherichia coli
items: Unraveling cerebroprotective potential of fenchone
items: Implementation of pharmaceutical care
items: Determination of benzene, toluene, ethylbenzene, p-, m-, o-xylene, and n-butyl acetate in urine by a validated gas chromatography method
items: https://revistas.usp.br/bjps/en/article/view/233790
items: Assessing the impact of clinically relevant medicinal chemistry teaching
items: Multitarget CDK inhibitors roscovitine and UCN‑01 induce apoptosis in colorectal cancer cells by inhibiting cell cycle progression and transcription
items: Salivary stimulatory and anti-inflammatory effects of aqueous Lilium brownii var. viridulum Baker extract for Sjögren’s syndrome
items: Rifampicin liposomes loaded on calcium phosphate cement scaffold constructed using 3D printing technology for sustained drug release
items: Screening of SIRT2 inhibitors from natural product databases using computer-aided drug design and molecular dynamics simulation
items: Composition of food supplements containing melatonin available in Portugal
items: Proposing a new anti-Covid-19 agent by using molecular docking and dynamics simulations
items: Physiologically-based pharmacokinetic modeling of enantioselective hydroxychloroquine kinetics and impact of genetic polymorphisms

Current insights on human Papillomavirus-independent cervical cancers: a systematic review
type: item
description: A small subset of cervical cancers tests negative for human Papillomavirus (HPV) DNA, being associated with poorer prognosis and higher aggressiveness. This study systematically reviewed the current status of HPV DNA-independent cervical cancers from clinical, diagnostic and prognostic perspectives, in comparison to HPV-associated cervical cancers. Relevant terms were searched in databases including PubMed, EMBASE, LILACS, Web of Science, Scopus, CINAHL and the Cochrane Controlled Trials Registered between January 2018 and December 2023. We focused on studies published in peer-reviewed English-language with available abstracts. Researchers independently screened the titles and abstracts and the selected articles were then read in full text. After reaching a consensus, 31 papers were selected for data extraction. Various techniques were employed for HPV testing, primarily based on polymerase chain reaction (PCR) and different types of clinical samples were analyzed. A total of 9.2% of the cases were found to be HPV-negative (mean age of 55.8 years). HPV-independent cervical cancers exhibit distinct characteristics; however, several challenges in interpreting the data were identified. Our findings demonstrate the difficulty in distinguishing truly HPV-independent cervical cancers from false-negative ones. Moreover, there is a critical need for new, more comprehensive and rigorously controlled studies to better elucidate the complexities surrounding HPV-independent cervical cancers.
subject: Review
  topic: section
subject: Prognosis
  topic: keywords
subject: Presentation
  topic: keywords
subject: Cervical cancer
  topic: keywords
subject: HPV DNA-independent
  topic: keywords
creator: Ana Beatriz Camillo Santos
creator: Marcos Elias da Silva Almeida
creator: Lucimara Rodrigues Carobeli
creator: Lyvia Eloiza de Freitas Meirelles
creator: Maria Vitória Felipe de Souza
creator: Gabriela de Castro Prado
creator: Edilson Damke
creator: Vânia Ramos Sela da Silva
creator: Jorge Juarez Vieira Teixeira
creator: Marcia Edilaine Lopes Consolaro
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-11-10
publication date: 2025-11-10
starting page: e24596
ending page: e24596
doi: 10.1590/s2175-97902025e24596

Continuous airborne particle count in the pharmaceutical industrial environment: a fundamentals theoretical review
type: item
description: In a pharmaceutical industrial environment, air quality control aims to find contaminations in the environment, which are used as an indicator of possible contamination of the product. Variables can be common quantities such as pressure differential, temperature, and humidity; or more complex quantities such as the number of particles suspended in the air and microbiological contamination. This set of controls in classified areas is called Environmental Monitoring. Monitoring the concentration of suspended particles in the air is detailed in the ISO 14644-2:2015 standard. This standard makes it mandatory for companies that have clean areas to control the number of particles suspended in the air as part of their environmental monitoring program and serves as a guide regarding the amount of concentration accepted for each type of clean area, as well as the classification of the clean room itself (ISO 14644-1). However, many features are not detailed in the ISO standard. The objective of this article was to review the main fundamentals related to particle counting in a pharmaceutical environment and to be used as a start point for professionals and academics starting studies in this area.
subject: Article
  topic: section
subject: Particle count
  topic: keywords
subject: Definition of sampling points
  topic: keywords
subject: Quality control
  topic: keywords
subject: Risk assessment
  topic: keywords
subject: environmental monitoring
  topic: keywords
creator: Eduardo Santos de Oliveira
creator: Felipe Rebello Lourenço
creator: Leandro Augusto Calixto
creator: Richardt Gama Landgraf
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-11-10
publication date: 2025-11-10
starting page: e24077
ending page: e24077
doi: 10.1590/s2175-97902025e24077

Clobetasol brazilian pilot study: the vasoconstrictor assay over time
type: item
description: The vasoconstrictor assay (VCA) has been internationally recognized as a reliable method to evaluate the bioequivalence of topical corticosteroids. The FDA has recommended its use since 1995 and ANVISA began to require this assay in 2022 (RDC no. 742/22). The objective of this study was to compare results from two VCA pilot studies, using two Konika Minolta® instruments and two different estimation methods. The Emax and ED50 parameters were obtained using a nonlinear mixed effect model and least squares fit using a Gauss-Newton algorithm. Regardless of the equipment or the fitting methods, similar Emax and ED50 were obtained. However, both parameters were different when comparing the assays performed from different batches of the same reference list drug (RLD) and procedures from the different guides. Added to this, the tests were carried out at different times and in different seasons. In the VCA pilot study, estimating the ED50 is essential to determine the D1 and D2 (shorter and longer dose duration reference standard calibrator) to be used in the pivotal bioequivalence study. The diversity of the Brazilian population and the lack of experience to perform the procedure represent major challenges for the implementation of this test.
subject: Article
  topic: section
subject: Vasoconstrictor Assay
  topic: keywords
subject: Topical corticosteroids
  topic: keywords
subject: Bioequivalence
  topic: keywords
subject: Bioavailability
  topic: keywords
subject: Topical drugs
  topic: keywords
subject: ANVISA
  topic: keywords
creator: Isabelle Moura Fittipaldi de Souza Dantas Cavalcanti
creator: Cristiano Ferraz
creator: Kelen Carine Costa Soares
creator: Davi Pereira de Santana
creator: Leila Bastos Leal
creator: Irla Carla de França Barbosa
creator: Isadore Kanfer
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-11-10
publication date: 2025-11-10
starting page: e24597
ending page: e24597
doi: 10.1590/s2175-97902025e24597

Can idebenone protect gastric tissue against oxidative stress, inflammation, and necrosis?
type: item
description: This study aims to investigate the antiulcer effects of Idebenone (IDE) in Wistar rats with indomethacininduced gastric ulcer and compare its effectiveness with famotidine (FAM). 36 rats were randomly divided into six groups: healthy; healthy+IDE200; ulcer (U); U+FAM; U+IDE100; U+IDE200. Six hours after the administration of 25 mg/kg of indomethacin, the antiulcer effects of FAM (40 mg/kg) and two different doses of IDE (100 and 200 mg/kg) in the gastric tissue of rats were examined through macroscopic, biochemical, molecular, and histopathological analyses. Comparative assessments were conducted between the healthy control group and the group treated with indomethacin alone. IDE effectively suppressed the indomethacin-induced increase in malondialdehyde (MDA) and mitigated the reduction in glutathione (GSH) levels. Furthermore, IDE treatment led to a significant decrease in mRNA expressions of interleukin 1 beta (IL-1β), tumor necrosis factor-alpha (TNF-α), and nuclear factor kappa beta (NF-κB)-p65 in ulcerative rats. Histopathological examinations revealed that both IDE doses improved the ulcer damage caused by indomethacin in the rats' stomach tissues. This study demonstrates that IDE administration exhibits a protective effect against indomethacin-induced gastric ulcers by reducing oxidative stress and inflammatory processes. IDE’s potential to prevent ulcer formation in the gastric tissue of rats suggests that it could be a valuable therapeutic agent in clinical practice.
subject: Article
  topic: section
subject: Anti-inflammatory
  topic: keywords
subject: Antioxidant
  topic: keywords
subject: Gastric ulcer
  topic: keywords
subject: Idebenone
  topic: keywords
subject: Indomethacin
  topic: keywords
creator: Cihangir Kaya
creator: Tugba Nurcan Yuksel
creator: Erdem Toktay
creator: Elif Cadirci
creator: Zekai Halici
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-11-10
publication date: 2025-11-10
starting page: e24246
ending page: e24246
doi: 10.1590/s2175-97902025e24246

Asparaginase-induced acute pancreatitis in children: unveiling predictive biomarkers for precision care
type: item
description: Asparaginase (ASN) is a crucial drug in the treatment of acute lymphoblastic leukemia (ALL). However, it is associated with an important and unique toxicity profile compared to other types of chemotherapy. One of the most relevant toxicities is acute pancreatitis. Although it is frequently a reversible process, its severity may contraindicate the continued use of ASN, delay the entire chemotherapy regimen, and impact overall survival. So far, the pathophysiological mechanism that gives rise to this complication is not well defined. At the same time, some risk factors are being studied, mainly pharmacogenetic markers. This review will outline what is currently known about the main genetic polymorphisms associated with the risk of acute pancreatitis related to the use of asparaginase.
subject: Article
  topic: section
subject: Asparaginase
  topic: keywords
subject: Acute lymphoblastic leukemia
  topic: keywords
subject: Pancreatitis
  topic: keywords
subject: Genetic factors
  topic: keywords
creator: Evelin Cristine Mendonça de Senna
creator: Klerize Anecely de Souza Silva
creator: Ciliana Rechenmacher
creator: Lucas Rotella
creator: Daiane Keller Ceconello
creator: Andre Salim Khayat
creator: Alayde Vieira
creator: Mariana Bohns Michalowski
creator: Liane Esteves Daudt
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-11-10
publication date: 2025-11-10
starting page: e24121
ending page: e24121
doi: 10.1590/s2175-97902025e24121

Antinuclear antibody (ANA) HEp-2 testing in patients with multiple myeloma
type: item
description: Antinuclear antibodies (ANAs) have recently sparked interest given their presence in cancer, including multiple myeloma (MM), a hematologic neoplasm characterized by abnormal plasma cell proliferation that accounts for approximately 1.6% of all cases of cancer. In our study, we performed ANA HEp-2 assays on samples from 44 patients with MM, 17 healthy controls, and a group of post-chemotherapy patients. Results revealed a significantly higher prevalence of ANAs in patients with MM than in controls (p = 0.0059). Most patients with MM exhibited relatively high ANA titers (≥1:80), and the most prevalent fluorescence pattern was the fine nuclear dot pattern. Notably, ANA titers decreased following chemotherapy, which correlated with the decrease in B2-microglobulin as well. Altogether, our results indicate potential links between a high prevalence of ANAs in patients with MM and frequent ANA positivity in metaphasic plaques.
subject: Article
  topic: section
subject: Antinuclear antibody
  topic: keywords
subject: Oncohematology
  topic: keywords
subject: Prognosis
  topic: keywords
subject: Multiple myeloma
  topic: keywords
creator: Valécia de Cassia Mendonça da Costa
creator: Ângela Luzia Branco Pinto Duarte
creator: Henrique de Ataíde Mariz
creator: Lidiane Vasconcelos do Nascimento Carvalho
creator: Michelly Cristiny Pereira
creator: Michelle Melgarejo da Rosa
creator: Moacyr Jesus Barreto de Melo Rêgo
creator: Reijane Alves de Assis
creator: Maira Galdino da Rocha Pitta
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-11-10
publication date: 2025-11-10
doi: 10.1590//s2175-97902025e24706

Antimicrobial stewardship program at a university hospital: an analysis of drug-related problems
type: item
description: To evaluate the pharmacotherapeutic interventions in antimicrobials, based on drug-related problems (DRP) implemented by the antimicrobial stewardship program (ASP). This is a posthoc analysis carried out between January 2018 and December 2019 in a University public trauma hospital. The DRP methodology was used to assess correct pharmacotherapy of antibiotics and acceptance by clinicians. Acceptability was defined as accepted within 24 hours, accepted after 24 hours, not accepted, or not accepted with justification. A total of 4,951 prescriptions were audited, of which an average of 16% of interventions resulted in 35.1% in unnecessary medication, 22.6% in administration route. For acceptability, all demonstrated significance according to P values <0.0001. In safety, 49.0% of interventions were performed, 42.0% were needed, and 9.0% were effective. DRP analysis is an important resource to be used within the ASP, bringing significant results both in terms of patient safety and cost minimization.
subject: Article
  topic: section
subject: Antimicrobial stewardship
  topic: keywords
subject: Pharmacovigilance
  topic: keywords
subject: Drug-related problems
  topic: keywords
creator: Felipe Francisco Tuon
creator: Julia Vitória da Rocha
creator: Dayana dos Santos Oliveira
creator: João Paulo Telles
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-11-10
publication date: 2025-11-10
starting page: e24541
ending page: e24541
doi: 10.1590/s2175-97902025e24541

Alginate wound dressing containing calendula extract: sterile and non-sterile properties evaluation
type: item
description: This study evaluated the effects of gamma sterilization on a novel wound dressing composed of polyester-viscose gauze impregnated with an alginate hydrogel containing 10% v/v calendula glycolic extract. The investigation examined the impact of 15 kGy gamma radiation on the morphology and properties of the alginate-calendula wound dressing, including swelling, biodegradation, water vapor permeability, and pH. The HPLC fingerprint of gamma-irradiated calendula glycolic extract was also analyzed. Physicochemical properties of sterile and non-sterile dressings were characterized using scanning electron microscopy (SEM-FEG), X-ray diffraction (XRD), and thermal analysis. Both the non-irradiated and irradiated calendula glycolic extracts had similar chromatographic fingerprint profiles. Hydrogel coverage on the gauze fabric was observed in SEM images, along with slight surface modifications in the sterile dressing. XRD and thermal analyses presented peaks associated with the textile substrate and reduced weight loss due to water evaporation caused by sterilization. After irradiation with gamma rays, swelling (500-600%), biodegradation (70-80%), water vapor permeability (70-85 g/m.day.Pa), and pH (6.4) of dressings did not show any significant changes. Overall, the findings show that gamma radiation maintains the flavonoid content, moisture level, low biodegradation rate, and slightly acidic pH, which makes it an appropriate method for sterilizing the alginate-calendula wound dressing.
subject: Article
  topic: section
subject: Wound dressing
  topic: keywords
subject: Biomaterial
  topic: keywords
subject: Gamma irradiation
  topic: keywords
subject: Sterilization
  topic: keywords
subject: Pot marigold
  topic: keywords
creator: Pedro Henrique Cunha Volpato
creator: Núbia da Silva do Nascimento
creator: Gisele de Oliveira Krubniki Possa
creator: Lucia Helena Garrido
creator: Traudi Klein
creator: Airton Vicente Pereira
creator: Priscileila Colerato Ferrari
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-11-10
publication date: 2025-11-10
starting page: e24239
ending page: e24239
doi: 10.1590/s2175-97902025e24329

Profile of drugs used by university students for self-medication in times of the COVID-19 pandemic
type: item
description: A significant increase in self-medication was observed during the SARS-CoV-2 pandemic, especially among university students due to their higher level of knowledge and awareness, making them more prone to self-medication. Therefore, in this scoping review we aimed to understand the profile of medications used for self-medication among university students during the pandemic, both for COVID-19 prevention and other reasons. We followed the PRISMA-ScR guidelines in conducting the review. The PICo guiding question was, “What is the profile of medications used for self-medication during the COVID-19 pandemic among university students?” Searches were conducted in the Scielo, PubMed, Embase, EBSCOhost, Web of Science, Scopus, BVS, Google Scholar, and CAPES databases based on MESH and DeCS descriptors. A total of 35 studies were selected, with eight (22.8%) reporting self-medication for COVID-19 prevention/treatment ranging from 14-83%, four (11.4%) reporting self-medication for specific symptoms ranging from 11-95%, 19 (54.4%) reporting several reasons for students self-medicating with a range of 50-100%, and four (11.4%) studies not specifying the reason for medication use in self-medication varying from 3-93%. The included studies revealed that the irrational use of medications is a common practice among university students, with varied prevalence of self-medication observed in this population during the COVID-19 pandemic.
subject: Review
  topic: section
subject: Review
  topic: keywords
subject: Students
  topic: keywords
subject: Self-Medication
  topic: keywords
subject: COVID-19
  topic: keywords
subject: Drug Utilization
  topic: keywords
creator: Natielle Alves Fernandes
creator: Larissa Torres Fernandes
creator: Welerson Gregório Macieira
creator: Lauro César da Silva Maduro
creator: Sabrina Cerqueira Santos
creator: Larissa de Freitas Bonomo
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Physiologically Based Pharmacokinetic and Physiologically Based Biopharmaceutic models research in Latin America
type: item
description: The landscape of scientific research in Latin America (LA), particularly in the realms of the Physiologically Based Pharmacokinetic (PBPK) and Physiologically Based Biopharmaceutic models (PBPM), is a mosaic of varied contributions, collaborations, and specializations. This study examines research production in the region using data from the Scopus and PubMed databases collected between 2011 and 2023. Brazil stands out as a prominent country in terms of the quantity of publications. When considering thematic specialization, Colombia cones first as the country with the greatest Relative Specialization Index (RSI), followed by Brazil, Cuba, Uruguay, Mexico, and Argentina. Regarding internationalization, Brazil and Mexico are currently exerting significant influence, particularly through their increasing cooperation with the United States and Europe. Interestingly, there is a lack of cooperation inside Latin America at the regional level. Regarding the contribution of Latin-American institutions, the State University of Maringá leads in number of publications, followed by the University of São Paulo and the Federal University of São Paulo. In this work, we analyzed the strengths and weaknesses of LA’s scientific contributions, offering a roadmap for future collaborative and specialized efforts in the field of PBPK and PBBM.
subject: Review
  topic: section
subject: PBPK
  topic: keywords
subject: PBBM
  topic: keywords
subject: Latin America Scientometric analysis
  topic: keywords
subject: International collaboration
  topic: keywords
creator: Juliana Cordeiro Cardoso
creator: José Eduardo Severino Martins
creator: Aline Ferreira Pinto
creator: Eliana Maria Barbosa Souto
creator: Marx Ribeiro
creator: Patricia Severino
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Personalized solutions for ENT implants
type: item
description: 3D printing, a newer manufacturing technology, is gaining prominence in the pharmaceutical and healthcare sectors, particularly ENT implants. It enables the production of customized biological tissue scaffolds, portable models, and surgical training aids. The emergence of 4D printing offers the potential for enhancing ENT therapy safety and efficacy. The manuscript explores the potential of 3D printing to revolutionize pharmaceutical and clinical practice, enabling the development of personalized drug formulations, patient-centric implants, and anatomical models. This review delves into the emerging concept of “smart” biomaterials used in 4D printing, which are capable of mimicking natural tissues and responding to external stimuli. This paves the way for significant advancements in ENT tissue engineering with the potential to increase treatment safety and efficacy. This highlights the importance of healthcare staff in translating 3D printing innovations into clinical practice for successful adoption. The manuscript highlights the transformative impact of 3D printing in the pharmaceutical and healthcare industries. 3D printing and bioprinting technologies are revolutionizing ENT therapy, offering novel avenues for improved patient care and fostering advancements in the healthcare field.
subject: Review
  topic: section
subject: ENT implant
  topic: keywords
subject: 3D printing
  topic: keywords
subject: 4D printing
  topic: keywords
subject: Additive manufacturing
  topic: keywords
subject: Bioprinting
  topic: keywords
subject: Biomaterials
  topic: keywords
subject: Smart polymers
  topic: keywords
subject: Tissue engineering
  topic: keywords
creator: Jigar Vyas
creator: Nensi Raytthatha
creator: Puja Vyas
creator: Jitendra Patel
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Monte Carlo simulation methods-based models for analyzing the kinetics of drug delivery from controlled release systems
type: item
description: Pharmaceutical controlled-release formulations are systems developed by a set of unit operations to achieve a satisfactory combination between a drug and excipients to allow its gradual release. These devices must simultaneously meet criteria for stability, biocompatibility, safety, efficacy, scalability at industrial volumes, and technological efficiency for drug release. Controlled-release systems (CRSs) must release drugs in a way that maintains an adequate concentration in the organism, a requirement that is challenging to meet in practice. Even though novel CRSs may be designed with new materials as excipients, new drugs, or emerging manufacturing technologies, the mechanisms for drug release continue to be governed by a set of similar physicochemical phenomena such as diffusion, swelling, or erosion. These phenomena are too complex to be analyzed by numerical methods; however, they are relatively accessible by probabilistic models especially the Monte Carlo simulation. In this review, we discuss key findings related to the use of this probabilistic method for analyzing the drug-controlled release process in different pharmaceutical devices. Based on this evidence, we propose their potential application in the characterization of new drug-controlled release systems, synergy with other computational methods, and their capability to be adapted for in vivo or in vitro kinetic analysis.
subject: Review
  topic: section
subject: Monte Carlo simulation
  topic: keywords
subject: Diffusion
  topic: keywords
subject: Drug-controlled release
  topic: keywords
subject: Percolation threshold
  topic: keywords
subject: Nanotechnology
  topic: keywords
subject: Simulation
  topic: keywords
subject: Swelling
  topic: keywords
creator: Saúl Jiménez-Jiménez
creator: Salomón Cordero-Sánchez
creator: José-Gerardo Mejía-Hernández
creator: David Quintanar-Guerrero
creator: Luz-María Melgoza-Contreras
creator: Rafael Villalobos-García
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Proton pump inhibitor leaflets
type: item
description: This study aims to analyze the existence of information about deprescription in the leaflets of proton pump inhibitor (PPI) medications. The leaflets available on the Brazilian Health Regulatory Agency (ANVISA) and Food and Drug Administration (FDA) websites for the following medications were analyzed: omeprazole, esomeprazole, lansoprazole, dexlansoprazole, pantoprazole, and rabeprazole. The variables collected in each leaflet were the existence: a) about deprescribing; b) of guidance on the deprescription process; c) maximum recommended time for use; and d) risk of prolonged use. This information was analyzed in accordance with the PPI deprescription guideline, from Canada. Regarding the medication leaflets, 83.33 % from ANVISA and 100 % from the FDA did not present explicit and systematic guidance on deprescribing. Regarding the maximum time of use, 100 % of the leaflets from both agencies contained this information. Regarding the risks of prolonged use of the medication, 33.33 % of the ANVISA leaflets and 33.3 % of the FDA leaflets did not report the increased risks described in the guideline. The results highlight a large gap in information about deprescribing in PPI leaflets; this highlighting is necessary to contribute to the promotion of the rational use of medicines.
subject: Review
  topic: section
subject: Leaflet
  topic: keywords
subject: Deprescription
  topic: keywords
subject: Rational Use of Medicines
  topic: keywords
subject: Proton Pump Inhibitors
  topic: keywords
subject: Brazilian Health Regulatory Agency (ANVISA)
  topic: keywords
subject: Food and Drug Administration (FDA)
  topic: keywords
creator: Marcus Vinícius Lopes Campos
creator: Farah Maria Drumond Chequer
creator: Luanna Gabriella Resende da Silva
creator: André Oliveira Baldoni
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-01-20
publication date: 2025-01-20
doi: 10.1590/

Medicines for the management of overweight and obesity
type: item
description: To synthesize the evidence about pharmacologic treatment of obesity and overweight and to define the options with the best risk-benefit using the stochastic analysis of multicriteria acceptability (SMAA). The analysis addresses a systematic review (PROSPERO CRD42023423308) whose research was realized in PubMed, Scopus, and Web of Science. Randomized controlled trials were included, which verified the effects of sibutramine, orlistat, liraglutide, and semaglutide in patients with IMC ≥ 26 Kg/ m². The risk of bias analysis was performed with RoB 2.0 and the outcomes evaluated were weight loss and serious adverse events. A total of 102 studies with 45.047 participants were included. The network meta-analysis revealed that all the treatments were significantly more effective than the placebo in weight reduction. The use of semaglutide (especially 0.4 mg/day) was associated with a bigger weight loss in comparison to all the other treatments (p<0.05) and the analysis of SMAA showed a risk-benefit of 95%. Besides that, we suggest re-evaluating of sibutramine 10mg/day as a therapeutic option for patients without hypertension or cardiovascular diseases, and we demonstrate the modest weight loss promoted by orlistat 120mg, sibutramine 5mg, and liraglutide 1,8mg and advise against its use, once the benefits do not outweigh the risks.
subject: Review
  topic: section
subject: Weight loss
  topic: keywords
subject: Adverse events
  topic: keywords
subject: Risk-benefit
  topic: keywords
subject: Pharmacological treatment
  topic: keywords
subject: Obesity
  topic: keywords
creator: Gabriela Masiero Marcon
creator: Jhonatan Mendes Paiva
creator: Mariana Delariva Sakiyama
creator: Fernanda Stumpf Tonin
creator: Fernando Fernandez-Llimos
creator: Suzane Virtuoso
creator: Andreia Cristina Conegero Sanches
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Neuropharmacological profile of new thiazepinone and thiazolidinone compounds designed by virtual screeningAuthorshipSCIMAGO INSTITUTIONS RANKINGS
type: item
description: To evaluate the neuropharmacological profile of new spiro thiazepinone and thiazolidinone compounds in CD1 mice after a computer-aided virtual screening based on a GABA-A/BZD site. From a library of 240 pyrazolo[1,4]thiazepin-3-ones and 39 pyrimidinyl thiazolidin-4-ones, two molecular prototypes of each series were selected by virtual screening using the rank consensus molecular docking approach, based on the GABA-A/BZD site. These compounds, coded as cpTP-0, cpTP-1, TAP-2 and cpTAP-2, were synthesised by multicomponent reactions and evaluated by neuropharmacological screening in CD1 mice (100 mg/kg, p.o.). The study revealed that cpTAP-2 exhibited a significant reduction of immobility time during the forced swimming test (FST), while it did not show any major effects in the rota-rod, open field, plus maze, tail suspension, pentylenetetrazole seizures, and barbiturate sleeping time tests. In a dose-response evaluation, cpTAP-2 reduced immobility time during forced swimming test in CD1 male mice at doses of 100 and 300 mg/kg with biologically relevant effect sizes. These results suggest that cpTAP-2 could elicit antidepressant effects possibly related to GABA-A/benzodiazepine site, although other mechanisms could be implicated.
subject: Review
  topic: section
subject: Antidepressant
  topic: keywords
subject: Drug design
  topic: keywords
subject: Virtual screening
  topic: keywords
subject: Spirothiazolidinone
  topic: keywords
subject: GABA-A/BZD receptor
  topic: keywords
creator: Juan Sebastian Carrero-Sandoval
creator: Paola Andrea Cuervo-Prado
creator: Fabian Orozco-Lopez
creator: Christian Alonso Becerra-Rivas
creator: Estefany Arias-Quiroz
creator: Mario Francisco Guerrero-Pabón
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Fractionation and separation of bioactive peptides using natural polymeric membrane
type: item
description: The increasing interest in bioactive peptides (BPs) for their potential in disease control and health promotion has been accompanied by a lack of scalable processes for their purification, hindering their commercial production. Membrane filtration, especially using polymeric membranes (PMs), has emerged as a promising technique for BP separation due to its excellent separation performance, ease of fabrication, and flexibility. By utilizing natural sources, such as chitosan, cellulose, lignin, gelatin, alginate, keratin, and silk fibroin, in PM production, the environmental impact of membrane-based separation processes can be reduced while maintaining sustainable, eco-friendly approaches. Natural polymer membranes have exhibited excellent separation performance in terms of molecular weight cut-off and rejection of unwanted compounds, and their performance can be further improved by combining them with nanoparticles or other polymers. This review presents the recent updates on the use of PMs derived from natural sources for the separation of BPs, covering the production and functions of BPs, different membrane separation technologies, and challenges faced during downstream purification.
subject: Review
  topic: section
subject: Bioactive peptides
  topic: keywords
subject: Membrane filtration
  topic: keywords
subject: Natural polymer
  topic: keywords
creator: Violina Kalita
creator: Jyotirmoy Bhattacharyya
creator: Sidhartha Jyoti Bora
creator: Rupjyoti Kalita
creator: Partha Pratim Dutta
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Analysis of the effectiveness of premedication in preventing early adverse reactions to antivenom serum from 2017 to 2021
type: item
description: This study aimed to analyze the effectiveness of using an antivenom serum (AVS) premedication protocol to prevent early adverse reactions (EAR). This is a cohort study conducted with data from the Londrina Information and Toxicological Assistance Center (CIATox-Londrina) at the University Hospital of the State University of Londrina (HU-UEL), which included patients treated with AVS between January/2017 and December/2021. The independent variable was performing the premedication protocol and the dependent variable was the occurrence of EAR after AVS administration. Patients were followed until hospital discharge. The association analysis was performed with calculation of the Relative Risk (RR) and 95% Confidence Interval (95% CI). A total of 806 cases of accidents with venomous animals were analyzed. The minority (8.1%; n=65) had EAR, and the most frequent symptoms were related to dermatological and respiratory manifestations. The AVS premedication protocol was performed in 96.6% (n=734) of the cases. There was no statistically significant difference in the unadjusted (RR: 1.487; 95% CI: 0.530-4.174) and adjusted (RR: 1.482; 95% CI: 0.522-4.210) models regarding the performance of the AVS premedication protocol and the occurrence of EAR. It is recommended against AVS premedication given the lack of effectiveness in preventing EAR.
subject: Review
  topic: section
subject: Antivenom
  topic: keywords
subject: Early adverse reaction
  topic: keywords
subject: Hypersensitivity
  topic: keywords
subject: Premedication
  topic: keywords
creator: Gustavo Abud Priedols
creator: Jonas Alher Meira Alves
creator: Jordana Meirelles de Oliveira
creator: Jéssica Vertuan Rufino
creator: Edmarlon Girotto
creator: Camilo Molino Guidoni
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Search for new antimicrobials against extended spectrum β-lactamase-positive Escherichia coli
type: item
description: Pathogenic strains of Escherichia coli can cause gastrointestinal infections, urinary tract infections (UTIs), bacteremia, and other severe infections. Some isolates of this species are capable of producing extended-spectrum β-lactamase (ESBL) enzymes, which mediate resistance against penicillin derivates and cephalosporins. Fungi of the Ascomycota phylum are known to produce antibiotics from different classes with activity against various bacterial agents. Among them, the genera Penicillium, Cephalosporium, Acremonium and Fusidium are known for the production of antimicrobial substances such as penicillin derivates, cephalosporins and fusidic acid. Currently, the search for new antimicrobials produced by species of the Ascomycota phylum includes the assessment of less explored habitats including aquatic environments, extreme environments, and the interior of plants/animals. The genus Penicillium remains promising for the discovery of new antimicrobial substances against resistant bacteria. In addition, those fungi have also been investigated regarding their usefulness for the biosynthesis of nanoparticles with antimicrobial activity. This narrative review introduces clinically relevant Escherichia coli pathovars, the historical contributions of the phylum Ascomycota to the production of antimicrobials, aspects of bioprocesses in the production of antimicrobial metabolites and different approaches of research targeting new antimicrobials such as screenings for fungi in environments not yet studied and the green synthesis mediated by fungi with antimicrobial activity.
subject: Review
  topic: section
subject: Escherichia coli
  topic: keywords
subject: Resistance
  topic: keywords
subject: Antimicrobial drug
  topic: keywords
subject: Ascomycota
  topic: keywords
subject: Drug development
  topic: keywords
creator: Walter Oliva Pinto Filho Segundo
creator: Luciana Aires de Oliveira
creator: Ana Cláudia Alves Cortez
creator: Érica Simplício de Souza
creator: Hagen Frickmann
creator: João Vicente Braga de Souza
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Unraveling cerebroprotective potential of fenchone
type: item
description: In this study, we investigated the cerebroprotective effects of fenchone (FEN) against brain ischemia through in silico and in vivo approaches, focusing on the inhibition of nitric oxide synthase (NOS) and the modulation of oxidative stress markers. Molecular docking revealed the potential binding affinity of FEN for the NOS active site, with a binding energy of -6.6 kcal/mol. This was validated through molecular dynamics simulations over a 100 ns time frame, demonstrating stability and favorable interaction profiles. Wistar albino rats underwent bilateral common carotid artery occlusion/reperfusion (BCCAO/R) followed by FEN administration at doses of 100 and 200 mg/kg. Our results indicated a significant reduction in cerebral infarction size and improvements in electroencephalography (EEG) signal magnitude with FEN treatment. Additionally, FEN restored the activity of antioxidant enzymes (catalase and superoxide dismutase) and decreased malondialdehyde (MDA) and nitric oxide (NO) levels and infarct size compared to those in untreated ischemic rats. Histological analysis further corroborated the neuroprotective effects of FEN, demonstrating the structural preservation of neurons in the hippocampal CA1 region. Overall, the results suggest that FEN plays a neuroprotective role in brain ischemia, potentially through the inhibition of NOS, reduction of oxidative stress, and modulation of antioxidants, highlighting the potential of FEN as a therapeutic candidate for ischemic stroke management.
subject: Article
  topic: section
subject: Fenchone
  topic: keywords
subject: Nitric oxide synthase
  topic: keywords
subject: BCCAO/R
  topic: keywords
subject: Cerebroprotective
  topic: keywords
subject: In silico studies
  topic: keywords
creator: Bangaru Mamatha
creator: Anka Rao Areti
creator: DSNBK Prasanth
creator: Narender Malothu
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Implementation of pharmaceutical care
type: item
description: This is a commentary manuscript, which aims to carry out a critical analysis of the effects of Pharmaceutical Care (PC) without the continuity of the service by healthcare professionals. PC has proven to be a very effective practice for improving pharmacotherapy for medicine users. In Brazil, it is noticeable that in the vast majority of cases, PC is carried out by professionals who are already working within the healthcare systems under the supervision of researchers affiliated with universities, for the purpose of research and data collection. When the research ends there is no continuation of the service, which hinders its continuous implementation and the establishment of a connection with the community. It was observed that after discharge from pharmacotherapeutic monitoring, due to the interruption of the service, there was a deterioration in the clinical and laboratory parameters of individuals with chronic diseases. Therefore, it is clear that PC needs to be implemented not only for research purposes, but also in the “real world”, so that it is long-lasting and permanent with the monitoring of the patients using medication.
subject: Article
  topic: section
subject: Health Systems
  topic: keywords
subject: Pharmaceutical care
  topic: keywords
subject: Pharmaceutical Services
  topic: keywords
creator: Luanna Gabriella Resende da Silva
creator: Thays Santos Mendonça
creator: Paulo Roque Obreli-Neto
creator: Mariana Linhares Pereira
creator: André Oliveira Baldoni
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Determination of benzene, toluene, ethylbenzene, p-, m-, o-xylene, and n-butyl acetate in urine by a validated gas chromatography method
type: item
description: This study was aimed to determine occupational and non-occupational exposure to benzene, toluene p-m-o-xylene (BTEXs) and butyl-acetate (nBA). The aim of this work was to develop a simple, sensitive, and reliable chromatographic method using urine, a non-invasive human sample. The method was applied to samples collected from furniture spray workers (n=53) who are at risk of exposure to BTEXs and nBA and office workers (n=51) who have no known exposure risk. Method validation tests, include the sensitivity (LOD≤0.018 ng/mL), precision (RSD≤4.1), accuracy (RE% (-3.9)-4.7), recovery (96.1-103.8%) and linearity (r2≥0.999). Urinary benzene (1.77 vs 1.23 ng/mL, exposed-control, respectively), toluene (51.22 vs 0.77 ng/mL), ethylbenzene (9.25 vs 6.69 ng/mL), para-xylene (1.73 vs 0.62 ng/mL), meta-xylene (2.58 vs 1.20 ng/mL), ortho-xylene (1.61 vs 0.88 ng/ mL), and butyl acetate (33.14 vs 1.63 ng/mL) concentrations were determined in the exposed and control group samples. Significant correlations were found between benzene (p=0.286*), ethylbenzene (p=0.552***) and o-xylene (p=0.292*) levels and smoking status in samples belonging to the control group. The occupationally-exposure-risk group samples have significantly higher BTEXs and nBA concentrations than the control (p<0.001). It was determined that smoking was a significantly effective factor in exposure to benzene, ethylbenzene and o-xylene in the control group.
subject: Article
  topic: section
subject: BTEXs
  topic: keywords
subject: n-Butyl acetate
  topic: keywords
subject: Headspace-GC-FID
  topic: keywords
subject: Urine
  topic: keywords
subject: Occupational exposure
  topic: keywords
subject: Smoking
  topic: keywords
creator: Emrah Dural
creator: Betül İşiner Kaya
creator: Görkem Mergen
creator: Erhan Boran
creator: Tülin Söylemezoğlu
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

https://revistas.usp.br/bjps/en/article/view/233790
type: item
title: Machine learning based QSAR and Molecular Dynamics simulations in the structural design and mechanism of action of imidazole derivatives with anti-melanoma activityAuthorshipSCIMAGO INSTITUTIONS RANKINGS
description: Cancer is defined as a group of diseases in which abnormal cells multiply and can invade other organs, requiring continuous studies for new drugs. A series of 177 imidazo[1,2-a]pyridine and imidazo[1,2-a] pyrazine synthetic derivatives were previously obtained, and their anti-melanoma IC50 values have been determined. Here, Artificial Intelligence algorithms were used to select molecular descriptors and build a QSAR model, highlighting structural characteristics related to enhanced molecular potency. Additionally, the imidazopyrazine nucleus was compared to a known inhibitor of the Aurora Kinase enzyme, an important target in cancer therapy. Thus, strategic imidazopyrazines were subjected to comparative molecular dynamics calculations, providing inferences about their possible mechanisms of action. The QSAR model allows for the design and prediction of nine new analogues with favourable predicted IC50 values. Molecular dynamics simulations and the estimated binding energies are consistent with the ranking of activities presented by representatives of the series.
subject: Article
  topic: section
subject: Imidazole derivatives
  topic: keywords
subject: Anti-melanoma activity
  topic: keywords
subject: Bio-inspired algorithms
  topic: keywords
subject: Random Forest
  topic: keywords
subject: Molecular Dynamics
  topic: keywords
subject: QSAR
  topic: keywords
creator: Rosalvo Ferreira de Oliveira Neto
creator: Sérgio Ruschi Bergamachi Silva
creator: Cintia Emi Yanaguibashi Leal
creator: Edilson Beserra de Alencar Filho
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Assessing the impact of clinically relevant medicinal chemistry teaching
type: item
description: Considering the unique role of medicinal chemistry in the pharmacists’ formation, in this work we assessed the impact of medicinal chemistry teaching on the interpretation of a clinical situation using statistical and learning gain analysis. Lectures were conducted with or without medicinal chemistry information about the drugs involved, and pre and post-tests were applied. Pharmacy students (n = 35) were divided into two experimental groups (control and test) and presented with a case report selected from literature involving statin-related myopathy when a pre-test was applied. A lecture containing pharmacological information on statins was delivered to the students from the control group. In contrast, the test group received the same information, but medicinal chemistry elements of statins were inserted, and afterward post-test was applied. The scores from the pre-test and post-test were statistically evaluated and used to calculate Cohen’s d, Hake’s, and Dellwo’s G learning gains to compare the performance of the students from both groups. The results showed that students from the test group obtained significantly higher performance in the post-test and higher learning gain values. In summary, medicinal chemistry elements provided important knowledge to unveil the reported clinical situation and to provide skills for adequate drug selection to avoid statin-related myopathy.
subject: Article
  topic: section
subject: Case studies
  topic: keywords
subject: Learning gain
  topic: keywords
subject: Clinical pharmacy
  topic: keywords
subject: Medicinal chemistry
  topic: keywords
subject: Pharmacy practice
  topic: keywords
creator: Fernanda Domingues Lustoza
creator: João Paulo S. Fernandes
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Multitarget CDK inhibitors roscovitine and UCN‑01 induce apoptosis in colorectal cancer cells by inhibiting cell cycle progression and transcription
type: item
description: Colorectal cancer (CRC) is the third leading cause of cancer death in the world, and its incidence is steadily rising in developing nations. Cell cycle aberrations due to deregulation of cyclin dependent kinases (CDKs) and cyclins are common events during colorectal carcinogenesis. Herein, we investigate the anticancer potential of two multitarget CDK inhibitors viz. roscovitine (specific inhibitor of CDK1, 2, 7, and 9) and UCN-01 (pan CDK inhibitor) against three CRC cell lines. Both the drugs exerted cytotoxicity and inhibited clonogenic potential of human CRC cell lines. These drugs induced apoptosis, downregulated cell cycle regulatory and transcriptional CDKs and cyclins’ protein expression as well as their activity. Moreover, dual combination of either of these CDK inhibitors with standard chemotherapeutic drugs was found to be synergistic in CRC cells. Thus, we demonstrate that multiple CDK inhibition offers promising therapeutic strategy against CRC.
subject: Article
  topic: section
subject: CDK inhibitors
  topic: keywords
subject: Roscovitine
  topic: keywords
subject: UCN-01
  topic: keywords
subject: Colorectal cancer
  topic: keywords
subject: Cell cycle
  topic: keywords
subject: Apoptosis
  topic: keywords
subject: Transcription inhibition
  topic: keywords
subject: Drug combination
  topic: keywords
creator: Sonal Mohan Manohar
creator: Kalpana Sanjay Joshi
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Salivary stimulatory and anti-inflammatory effects of aqueous Lilium brownii var. viridulum Baker extract for Sjögren’s syndrome
type: item
description: Sjögren’s syndrome (SS) damages exocrine glands, and Lilium brownii var. viridulum Baker (Lilii Bulbus, LB) shows potential as a therapeutic agent. This study evaluated LB’s efficacy in alleviating xerostomia using non-obese diabetic/severe combined immunodeficiency (NOD/SCID) mice and human salivary gland acinar (NS-SV-AC) cells. In vitro, NS-SV-AC cells were treated with LB (1, 5, 10, 50, and 100 µg/mL) and 5-aza-2′-deoxycytidine (2 µM/mL) for 48 h. Cell viability, fluid secretion, and aquaporin-5 (AQP-5) expression were assessed. In vivo, thirty 20-week-old NOD/SCID mice received LB orally (100, 500, and 1,000 mg/kg) for 4 weeks, with salivary secretion rates measured. AQP-5 and M3 muscarinic acetylcholine receptor (M3R) expression and inflammatory mediator levels were determined using western blotting and enzyme-linked immunosorbent assay. Histopathological examination of salivary glands was also performed. LB significantly increased NS-SV-AC cell proliferation, fluid secretion, and AQP-5 expression. In NOD/SCID mice, LB reduced anti-SSA/Ro and anti-SSB/La antibodies, tumor necrosis factor-α, interferon-γ, and interleukin-6, while increasing AQP-5 and M3R expression. This resulted in increased salivary secretion and reduced glandular inflammation. LB extract appears promising for managing oral health by enhancing salivation, upregulating AQP-5, and modulating immune-inflammatory responses.
subject: Article
  topic: section
subject: Sjögren’s syndrome
  topic: keywords
subject: Salivary
  topic: keywords
subject: Dry mouth
  topic: keywords
subject: Lilii
  topic: keywords
subject: Lilium
  topic: keywords
creator: Na-Yeon Ha
creator: Haein Jeong
creator: Mun Seog Chang
creator: Jinsung Kim
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Rifampicin liposomes loaded on calcium phosphate cement scaffold constructed using 3D printing technology for sustained drug release
type: item
description: Rifampicin (RFP) is used for the treatment of chronic bone tuberculosis owing to its powerful and wide spectrum antibacterial activities. However, effective concentrations of RFP required to treat bone tuberculosis are maintained for a short time in vivo, and adverse reactions and bone defects may occur after surgery. Therefore, the construction of a new drug delivery system to overcome these problems is required. In this study, we designed, constructed, and demonstrated the applicability of a calcium phosphate cement scaffold loaded with RFP liposomes for the treatment of bone tuberculosis. RFP liposomes were prepared using a film dispersion method. The preparation method was optimized using the encapsulation rate as an indicator and the morphology, mean particle size, zeta potential, encapsulation rate, and drug loading of RFP liposomes were characterized. Calcium phosphate cement scaffolds were constructed using 3D printing technology and used as RFP liposome carriers for sustained-release drug delivery. Finally, some of the properties were verified in vivo through experiments in rabbits. The results indicated that composite scaffolds can provide sustained drug release and are a promising treatment option for bone tuberculosis.
subject: Article
  topic: section
subject: Rifampicin
  topic: keywords
subject: Liposomes
  topic: keywords
subject: 3D printing technology
  topic: keywords
subject: Calcium phosphate cement
  topic: keywords
subject: Bone tuberculosis
  topic: keywords
creator: Jie Jin
creator: Mingfeng Zheng
creator: Xinjun Cai
creator: Xudong Fan
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Screening of SIRT2 inhibitors from natural product databases using computer-aided drug design and molecular dynamics simulation
type: item
description: This study is committed to searching for inhibitors of deacetylase SIRT2 within the natural product database via computer-aided drug design techniques. A comprehensive computer-aided drug design platform has been successfully established by integrating various techniques such as drug-likeness screening, pharmacokinetic prediction, molecular docking, and molecular dynamics simulation. The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (YaTCM) has been thoroughly explored to identify SIRT2 inhibitors, and the discovered compounds have been validated using molecular dynamics simulation. Through the computer-aided drug design method, five compounds capable of binding to SIRT2 have been successfully screened out from 47,696 natural product compounds derived from 6,220 herbs in the YaTCM database. Molecular dynamics simulation reveals that Artonin E and Paleatin B can form stable receptor-ligand complexes in the active pocket of SIRT2 inhibitors. Based on computer-aided drug design and virtual screening and verification techniques, Artonin E and Paleatin B have been identified as inhibitors of SIRT2, which is a key therapeutic target for the treatment of neuroblastoma. Applying computer aided drug design techniques to identify potential drug molecules from natural products holds profound significance for drug research.
subject: Article
  topic: section
subject: SIRT2
  topic: keywords
subject: Neuroblastoma
  topic: keywords
subject: Computer-aided drug design
  topic: keywords
subject: Molecular dynamics simulation
  topic: keywords
subject: Molecular docking
  topic: keywords
creator: Tianyi Liu
creator: Hongli Yin
creator: Xue Dong
creator: Qingyang Hu
creator: Xuejiao Hu
creator: Wenxin Yan
creator: Huanhuan Wang
creator: Zhong Li
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Composition of food supplements containing melatonin available in Portugal
type: item
description: Melatonin straddles the boundary between food supplements and medicine. In Portugal, its classification is contingent upon a critical dosage threshold of 2 mg. This study aimed to detail the composition of melatonin-containing food supplements, available in Portugal based on their labels, and report the number of potential intoxications. Data was collected from 44 food supplements, and the difference in active ingredients was revealed towards the 16 approved medicines. Data on melatonin intoxication cases from 2018 to 2022 were obtained from the Portuguese Poisons Information Center (CIAV). Melatonin supplements, available in tablets, capsules, gummies, powders, or sprays, exhibited a recommended daily dose ranging from 1 to 1.95 mg. Only 20% contained melatonin alone, while the majority included plant extracts and vitamins. The absence of clinical studies supporting the efficacy of melatonin combined with plant extracts in these formulations raises concerns about their evidence-based effectiveness. Medicines contain 2 to 3 mg of melatonin per tablet, either immediate or modified release. Melatonin intoxication occurs mainly in children, with a higher prevalence between the first year of life and the age of four. Food supplements containing melatonin and plant extracts should be more carefully studied, including the potential adverse effects.
subject: Article
  topic: section
subject: Melatonin
  topic: keywords
subject: N-acetyl-5-methoxytryptamine
  topic: keywords
subject: Dietary supplement
  topic: keywords
subject: Medicine
  topic: keywords
subject: Intoxication
  topic: keywords
creator: Beatriz Vieira Araújo
creator: Fátima Rato
creator: João Paulo Capela
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Proposing a new anti-Covid-19 agent by using molecular docking and dynamics simulations
type: item
description: The Covid-19 pandemic, caused by SARS-CoV-2, was responsible for millions of deaths worldwide. The main protease (Mpro) of SARS-CoV-2 is considered one of the important drug targets for the treatment of Covid-19. Recent studies have shown that anisotine should be a potent Mpro inhibitor. In the present work, four oxoquinoline derivatives are proposed as candidates for Mpro inhibitors. The main functional group of these derivatives shows similarity to anisotine, and they are active against the HSV-1, as well as the latter. Molecular docking studies evaluated whether these compounds could be active against Mpro of SARS-CoV-2. Structural modifications were proposed on the oxoquinoline derivative which formed a more stable complex with Mpro and this proposal formed an even more stable complex besides exhibiting improvements in the toxicological profile. Molecular dynamics simulations indicated that derivatives proposed promote greater stabilization by complexing with Mpro than anisotine.
subject: Article
  topic: section
subject: SARS-CoV-2
  topic: keywords
subject: Covid-19
  topic: keywords
subject: Mpro
  topic: keywords
subject: Oxoquinoline derivatives
  topic: keywords
subject: Molecular docking
  topic: keywords
subject: Molecular dynamics
  topic: keywords
creator: Izabella Rodrigues Fonseca da Silva
creator: Luís Felipe Guerreiro Martins
creator: Julliane Yoneda
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/

Physiologically-based pharmacokinetic modeling of enantioselective hydroxychloroquine kinetics and impact of genetic polymorphisms
type: item
description: Hydroxychloroquine (HCQ) is a chiral drug used to treat malaria and inflammatory diseases, available as a racemic mixture of R-and S-HCQ. This work aimed to build physiologically-based pharmacokinetic (PBPK) models to predict the pharmacokinetics (PK) of R-and S-HCQ and assess the impact of major genetic polymorphisms on PK. Whole-body PBPK models accounting for first-order absorption, Rodgers and Rowland distribution method, and enzyme kinetics data were built for R-and S-HCQ. The models were verified by comparing predicted PK parameters with observed ones, with a mean error within the acceptable range (0.5-2 fold). Simulations covered CYP2D6 normal metabolizer (NM), poor metabolizer (PM), and ultra-rapid metabolizer (UM) phenotypes, as well as CYP2C8 NM and PM phenotypes. The results revealed a 1.1-fold increase in area under the curve blood concentration versus time (AUC) for CYP2D6 PM individuals and a 0.9-fold reduction for UM individuals compared to NM individuals. In addition, simulations with CYP2D6 and CYP2C8 PM phenotype individuals combined with the CYP3A4 inhibitor clarithromycin showed increased AUC for R-and S-HCQ of 2.34 and 2.68, respectively. These PBPK models offer reliable predictions for R-and S-HCQ enantioselective kinetics and shed light on previously unexplored scenarios.
subject: Article
  topic: section
subject: Hydroxychloroquine
  topic: keywords
subject: Enantiomers
  topic: keywords
subject: PBPK
  topic: keywords
subject: Gene polymorphisms
  topic: keywords
subject: Drug interactions
  topic: keywords
creator: Gabriella de Souza Gomes Ribeiro
creator: Leandro Francisco Pippa
creator: Fernanda de Lima Moreira
creator: Natália Valadares de Moraes
rights: Copyright (c) 2025 Brazilian Journal of Pharmaceutical Sciences https://creativecommons.org/licenses/by/4.0
date: 2025-02-11
publication date: 2025-02-11
doi: 10.1590/