Affiliation:
1. Universidade Federal da Paraíba, Brazil
Abstract
HIV is a virus that affects more than 37 million people worldwide, where only 23.3 million were receiving retroviral treatment by 2018, according to the World Health Organization (WHO). Three important enzymatic targets in the life cycle of HIV are: reverse transcriptase, protease and integrase; disease progression causes a decrease in CD4 + T lymphocytes, makes the infected organism vulnerable to opportunistic diseases. Therefore, much research aims to inhibit these enzymes to try to fight AIDS. This research aims to verify the use of silico techniques for an inhibitory activity of a set of 2-aminothiophenic drugs against these three enzymes, based on rational drug planning, virtual screening, and molecular modeling. To this end, many computational tools were used to generate data that improve the expectation of potential activity of these compounds. After all analyses, it was concluded that 12 of the 180 compounds tested may have potential activity against HIV-1 with low toxicological effects.
Subject
Geriatrics and Gerontology
Reference34 articles.
1. In Silico Studies Designed to Select Sesquiterpene Lactones with Potential Antichagasic Activity from an In-House Asteraceae Database
2. Alves, V. de M. (2014). Desenvolvimento de modelos de QSAR e análise quimioinformática da sensibilização e permeabilidade da pele.
3. Virtual screening of secondary metabolites of the genus Solanum with potential antimicrobial activity
4. Berto Pereira, G., Szwarc, B., Mondragao, M. A., Lima, P. A., & Pereira, F. (2018). A Ligand-Based Approach to the Discovery of Lead-Like Po tassium Channel KV1. 3 Inhibitors.
5. Cavalcanti, É. B. V. S. (2018). Estudos quimiotaxonômicos e triagem virtual de flavonoides isolados da família asteraceae com potencial atividade leishmanicida.
Cited by
2 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献