Pharmacokinetic and pharmacodynamic predictions of novel potential HIV-1 integrase inhibitors.
Virtual screening docking-based approach has been employed in order to select novel HIV-1 integrase (IN) potential inhibitors in large databases. Toxicity, metabolism and drug-like properties have been analyzed for the most promising compounds, using computational chemistry techniques. Results were compared and discussed with that obtained for a known HIV-1 (IN) inhibitor reported in the literature.
Departamento de Ciências Farmacêuticas, Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo, Av. do Café, s/n, Monte Alegre, 14040-903, Ribeirão Preto, Brasil.
C H T P
CH
da Silva
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VB
da Silva
C A
CA
Taft
D000818:Animals; D003198:Computer Simulation; D016208:Databases, Factual; D016503:Drug Delivery Systems; D015195:Drug Design; D015658:HIV Infections / Q000188:drug therapy / Q000503:physiopathology; D019427:HIV Integrase / Q000187:drug effects* / Q000378:metabolism; D019428:HIV Integrase Inhibitors / Q000493:pharmacokinetics* / Q000494:pharmacology / Q000633:toxicity; D006801:Humans
D019428:HIV Integrase Inhibitors; D019427:HIV Integrase