Hydroxyalkynyl uracil derivatives as NNRTIs against HIV-1: <i>in silico</i> predictions, synthesis, docking and molecular dynamics simulation studies.

Yadav, Madhu; Srivastava, Ritika; Naaz, Farha; Sen Gupta, Parth Sarthi; Panda, Saroj Kumar; Rana, Malay Kumar; Singh, Ramendra K

Hydroxyalkynyl uracil derivatives as NNRTIs against HIV-1: in silico predictions, synthesis, docking and molecular dynamics simulation studies.

Yadav, Madhu; Srivastava, Ritika; Naaz, Farha; Sen Gupta, Parth Sarthi; Panda, Saroj Kumar; Rana, Malay Kumar; Singh, Ramendra K.

Afiliação

Yadav M; Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Prayagraj, India.
Srivastava R; Department of Chemical Sciences, Indian Institute of Science Education and Research Berhampur, Odisha, India.
Naaz F; Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Prayagraj, India.
Sen Gupta PS; School of Biosciences and Bioengineering, D Y Patil International University, Akurdi, Pune, India.
Panda SK; Department of Chemical Sciences, Indian Institute of Science Education and Research Berhampur, Odisha, India.
Rana MK; Department of Chemical Sciences, Indian Institute of Science Education and Research Berhampur, Odisha, India.
Singh RK; Bioorganic Research Laboratory, Department of Chemistry, University of Allahabad, Prayagraj, India.

J Biomol Struct Dyn ; 41(16): 8068-8080, 2023.

Article em En | MEDLINE | ID: mdl-36229234

Palavras-chave

Anti HIV; HIV; drug design; drug target; in silico studies

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2023 Tipo de documento: Article