Design, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands.

Ghosh, Arun K; Sean Fyvie, W; Brindisi, Margherita; Steffey, Melinda; Agniswamy, Johnson; Wang, Yuan-Fang; Aoki, Manabu; Amano, Masayuki; Weber, Irene T; Mitsuya, Hiroaki

Ghosh, Arun K; Sean Fyvie, W; Brindisi, Margherita; Steffey, Melinda; Agniswamy, Johnson; Wang, Yuan-Fang; Aoki, Manabu; Amano, Masayuki; Weber, Irene T; Mitsuya, Hiroaki.

Afiliação

Ghosh AK; Department of Chemistry, Purdue University, West Lafayette, IN 47907, USA; Department of Medicinal Chemistry, Purdue University, West Lafayette, IN 47907, USA. Electronic address: akghosh@purdue.edu.
Sean Fyvie W; Department of Chemistry, Purdue University, West Lafayette, IN 47907, USA.
Brindisi M; Department of Chemistry, Purdue University, West Lafayette, IN 47907, USA.
Steffey M; Department of Chemistry, Purdue University, West Lafayette, IN 47907, USA.
Agniswamy J; Departments of Biology and Chemistry, Georgia State University, Atlanta, GA 30303, USA.
Wang YF; Departments of Biology and Chemistry, Georgia State University, Atlanta, GA 30303, USA.
Aoki M; Departments of Hematology and Infectious Diseases, Kumamoto University of Medicine, Kumamoto 860-8556, Japan.
Amano M; Departments of Hematology and Infectious Diseases, Kumamoto University of Medicine, Kumamoto 860-8556, Japan.
Weber IT; Departments of Biology and Chemistry, Georgia State University, Atlanta, GA 30303, USA.
Mitsuya H; Departments of Hematology and Infectious Diseases, Kumamoto University of Medicine, Kumamoto 860-8556, Japan; Experimental Retrovirology Section, HIV and AIDS Malignancy Branch National Cancer Institute, Bethesda, MD 20892, USA; Center for Clinical Sciences, National Center for Global Health and Med

Bioorg Med Chem Lett ; 27(21): 4925-4931, 2017 11 01.

Article em En | MEDLINE | ID: mdl-28958624

Assuntos

Desenho de Fármacos; Inibidores da Protease de HIV/síntese química; Protease de HIV/metabolismo; Compostos Macrocíclicos/química; Sítios de Ligação; Cristalografia por Raios X; Protease de HIV/química; Protease de HIV/genética; Inibidores da Protease de HIV/química; Inibidores da Protease de HIV/metabolismo; HIV-1/enzimologia; Concentração Inibidora 50; Ligantes; Compostos Macrocíclicos/síntese química; Compostos Macrocíclicos/metabolismo; Simulação de Dinâmica Molecular; Mutação; Estrutura Terciária de Proteína; Pirrolidinonas/química; Relação Estrutura-Atividade

Palavras-chave

Drug resistance; HIV protease; Macrocyclic inhibitors; P1'-P2' ligands; Structure-based design

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Desenho de Fármacos / Protease de HIV / Inibidores da Protease de HIV / Compostos Macrocíclicos Idioma: En Ano de publicação: 2017 Tipo de documento: Article

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