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https://www.arca.fiocruz.br/handle/icict/48160
CONTRIBUTIONS OF BIOINFORMATICS TO STUDY NATURAL ANTIFUNGALS: REVIEW IN A PHARMACOLOGICAL CONTEXT
Computational Studies
Theoretical Studies
Antifungal Agents
Natural Products
Affilliation
Universidade de Buenos Aires. Faculdade de Odontologia. Farmacologia. Buenos Aires, Argentina.
Universidade de Buenos Aires. Faculdade de Odontologia. Farmacologia. Buenos Aires, Argentina.
Universidade de Buenos Aires. Faculdade de Odontologia. Farmacologia. Buenos Aires, Argentina.
Universidade de Buenos Aires. Faculdade de Medicina. Farmacologia. Buenos Aires, Argentina.
Universidade de Buenos Aires. Faculdade de Odontologia. Farmacologia. Buenos Aires, Argentina.
Universidade de Buenos Aires. Faculdade de Odontologia. Farmacologia. Buenos Aires, Argentina.
Universidade de Buenos Aires. Faculdade de Odontologia. Farmacologia. Buenos Aires, Argentina.
Universidade de Buenos Aires. Faculdade de Medicina. Farmacologia. Buenos Aires, Argentina.
Universidade de Buenos Aires. Faculdade de Odontologia. Farmacologia. Buenos Aires, Argentina.
Abstract
In the last decades, computational techniques have become valuable tools for research of biological systems. They are applied to biochemistry, immunology, pharmacology, etc. Regarding antimicrobial agents, the search for new medicaments or pharmacological strategies is fully justified because of different reasons such as emergence of resistance and drug interactions, particularly in immunocompromised patients. In this work we proposed to update knowledge about application of computational methods to research on natural antifungal compounds. We searched scientific findings through electronic databases according to pertinence and relevance of the information. Then, we analyzed and selected articles in order to organize the information in different items according to set schedules. We updated information about in silico studies regarding new and already known natural antifungal agents. Data were then placed in a pharmacological context regarding molecular targets, mechanisms of therapeutic and toxic effects, as well as resistance mechanisms and their reversion, with special focus on human mycoses. Thus, in this review we summarized important contributions of bioinformatics studies to the design and discovery of new potential agents. We also integrated data related to pharmacology and other disciplines in order to provide a framework for the bioinformatics findings.
Keywords
BioinformaticsComputational Studies
Theoretical Studies
Antifungal Agents
Natural Products
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