Synthesis, virtual screening and computational approach of a quinoxaline derivative as potent anti-HIV agent targeting the reverse transcriptase enzyme.

El Bakri, Youness; Saravanan, Kandasamy; Ahmad, Sajjad; Mague, Joel T

El Bakri, Youness; Saravanan, Kandasamy; Ahmad, Sajjad; Mague, Joel T.

Afiliação

El Bakri Y; Department of Theoretical and Applied Chemistry, South Ural State University, Chelyabinsk, Russian Federation.
Saravanan K; Faculty of Chemistry, University of Warsaw, Warsaw, Poland.
Ahmad S; Department of Health and Biological Sciences, Abasyn University, Peshawar, Pakistan.
Mague JT; Department of Chemistry, Tulane University, New Orleans, Los Angeles, USA.

J Biomol Struct Dyn ; 41(11): 5277-5290, 2023 07.

Article em En | MEDLINE | ID: mdl-35665631

Assuntos

Fármacos Anti-HIV; Humanos; Fármacos Anti-HIV/química; Inibidores da Transcriptase Reversa/farmacologia; Transcriptase Reversa do HIV; Simulação de Acoplamento Molecular; Quinoxalinas/química; Quinoxalinas/farmacologia

Palavras-chave

Anti-HIV agents; DFT calculations; Molecular docking; Molecular dynamics; Quinoxaline; Reverse transcriptase; X-ray Structure

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Fármacos Anti-HIV Tipo de estudo: Diagnostic_studies / Screening_studies Limite: Humans Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2023 Tipo de documento: Article

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