In Silico and In Vitro Evaluation of the Antifungal Activity of a New Chromone Derivative against Candida spp.

Candida species are frequently implicated in the development of both superficial and invasive fungal infections, which can impact vital organs. In the quest for novel strategies to combat fungal infections, there has been growing interest in exploring synthetic and semi-synthetic products, particularly chromone derivatives, renowned for their antimicrobial properties. In the analysis of the antifungal activity of the compound (E)-benzylidene-chroman-4-one against Candida, in silico and laboratory tests were performed to predict possible mechanisms of action pathways, and in vitro tests were performed to determine antifungal activity (MIC and MFC), to verify potential modes of action on the fungal cell membrane and wall, and to assess cytotoxicity in human keratinocytes. The tested compound exhibited predicted affinity for all fungal targets, with the highest predicted affinity observed for thymidylate synthase (-102.589 kJ/mol). MIC and CFM values ranged from 264.52 µM (62.5 µg/mL) to 4232.44 µM (1000 µg/mL). The antifungal effect likely occurs due to the action of the compound on the plasma membrane. Therefore, (E)-benzylidene-chroman-4-one showed fungicidal-like activity against Candida spp., possibly targeting the plasma membrane.

Derivative of 7-hydroxycoumarin has antifungal potential against Candida species and low cytotoxicity against human cells: In silico studies and biological evaluation.

This study investigates the antifungal and cytotoxic properties of 7-(pentyloxy)-2H-chromen-2-one. Through molecular docking and dynamics simulations, we explored the compound's interactions with fungal cell protein targets. Notably, it exhibited strong affinities for 1,3ß-glucan synthase, squalene epoxidase, δ-14-sterol reductase, 14-α-demethylase, and thymidylate synthase, with binding energies ranging from -100.39 to -73.15 kcal/mol. Molecular dynamics simulations confirmed its stable binding at active targets. The MIC and MFC values ranged from 67.16 µM (15.6 µg/mL) to 537.28 µM (125.0 µg/mL). The compound displayed promising antifungal effects, inhibiting fungal growth for at least 24 hours. Fungal plasma membrane function alteration likely contributed to these antifungal mechanisms. Additionally, the combination of the compound with nystatin, fluconazole, and caspofungin showed indifferent effects on antifungal activity. Cytotoxicity assessment in human keratinocyte cells (HaCaT) revealed an IC50 of 100 µM, which was approximately 1.5 times higher than the MIC for C. krusei. Thus, the compound exhibited strongly in silico and in vitro antifungal activity with low cytotoxicity in HaCaT cells. These findings support its potential as a candidate for further development as an antifungal compound.

Promoção do uso racional de medicamentos no contexto dos 3º e 4º ciclos da educação de jovens e adultos / Promotion of the rational use of medicines in the context of the 3th and 4th cycles of youth and adult education / Promoción del uso racional de medicamentos en el context de los 3º y 4º ciclos de educación juvenil y adulta

Introdução: O alto consumo de medicamentos no Brasil impulsiona o desenvolvimento de estratégias para promoção do uso racional dos mesmos, especialmente em população mais vulneráveis. Objetivo: Traçar o perfil socioeconômico, demográfico e farmacoterapêutico dos alunos incluídos na presente pesquisa; bem como, promover atividades de educação em saúde.Metodologia: Trata-se de uma pesquisa epidemiológica transversal, quantitativa e descritiva realizada com 33 alunos do terceiro e quarto ciclos do programa de Educação de Jovens e Adultos de uma escola pública de João Pessoa-PB. Os dados foram coletados através de formulário, ficha de medicamentos e atividades de educação em saúde. Resultados:A maioria dos estudantes jovens e adultos com idade abaixo de 60 anos(75,7%), predominando o sexo feminino(69,6%)e parda(63,3%). Quase metade dos participantes é constituída de desempregados(45,5%). Parte dos alunos(39,9%) afirmaram ter renda mensal de até um salário mínimo. Para realização desse projeto foram efetuadas atividades que proporcionavam, através de metodologias ativas, a educação e promoção do uso racional de medicamentos e o autocuidado. Quanto ao perfil farmacoterapêutico observa-se interações medicamentosas entre anti-hipertensivos, hipoglicemiantes, anti-tireoidiano e medicamentos isentos de prescrição, apresentando presença de automedicação. As classes medicamentosas predominantes foram os analgésicos, anti-hipertensivos, anti-inflamatórios,antiácidos e hipoglicemiantes. Conclusões:O desenvolvimento de práticas educativas no âmbito da Educação de Jovens e Adultos incentivam o diálogo e a participação dos envolvidos, com grande potencial para ampliação do acesso às informações associadas ao autocuidado em saúde em suas famílias, escola e comunidade (AU).

Introduction:The high consumption of medicines in Brazil drives the development of strategies to promote their rational use, especially in the most vulnerable populations. Objective:Draw the socioeconomic, demographic and pharmacotherapeutic profile of the students included in this research; as well as promoting health education activities. Methodology:This is a cross-sectional, quantitative and descriptive epidemiological research carried out with 33 students from the third and fourth cycles of the Youth and Adult Education program of a public school in João Pessoa-PB. The data were collected through a form, medication form and health education activities. Results:The majority of young and adult students under the age of 60 (75.7%), predominantly female (69.6%) and brown (63.3%). Almost half of the participants are unemployed (45.5%). Part of the students (39.9%) said they had a monthly income of up to one minimum wage. In order to carry out this project, activities were carried out that provided, through active methodologies, education and promotion of the rational use of medicines and self-care. Regarding the pharmacotherapeutic profile, drug interactions are observed between antihypertensive drugs, hypoglycemic agents, anti-thyroid agents and non-prescription drugs, with the presence of self-medication. The predominant drug classes were analgesics, antihypertensives, anti-inflammatories, antacids and hypoglycemic agents. Conclusions:The development of educational practices within the scope of Youth and Adult Education encourages dialogue and the participation of those involved, with great potential for expanding access to information associated with self-care in health in their families, school and community (AU).

Introducción: El alto consumo de medicamentos en Brasil impulsa el desarrollo de estrategias para promover su uso racional, especialmente en las poblaciones más vulnerables. Objetivo:Dibujar el perfil socioeconómico, demográficoy farmacoterapéutico de los estudiantes incluidos en esta investigación; así como promover actividades de educación para la salud. Metodología:Esta es una investigación epidemiológica transversal, cuantitativa y descriptiva realizada con 33 estudiantes del tercer y cuarto ciclo del programa de Educación para Jóvenes y Adultos de una escuela pública en João Pessoa-PB. Los datos fueron recolectados a través de un formulario, formulario de medicamentos y actividades de educación para la salud.Resultados:La mayoría de los estudiantes jóvenes y adultos menores de 60 años (75.7%), predominantemente mujeres (69.6%) y marrones (63.3%). Casi la mitad de los participantes están desempleados (45,5%). Parte de los estudiantes (39.9%) dijeron que tenían un ingreso mensual de hasta un salario mínimo. Para llevar a cabo este proyecto, se llevaron a cabo actividades que proporcionaron, a través de metodologías activas, educación y promoción del uso racional de medicamentos y autocuidado. En cuanto al perfil farmacoterapéutico, se observan interacciones farmacológicas entre fármacos antihipertensivos, agentes hipoglucemiantes, agentes antitiroideos y medicamentos sin receta, con presencia de automedicación. Las clases de drogas predominantes fueron analgésicos, antihipertensivos, antiinflamatorios, antiácidos y agentes hipoglucemiantes. Conclusiones:El desarrollo de prácticas educativas en el ámbito de la educación de jóvenes y adultos fomenta el diálogo y la participación de los involucrados, con un gran potencial para ampliar el acceso a la información asociada con el autocuidado en salud en sus familias, escuelas y comunidades (AU).