Structure-based design of potent HIV-1 protease inhibitors with modified P1-biphenyl ligands: synthesis, biological evaluation, and enzyme-inhibitor X-ray structural studies.

Ghosh, Arun K; Yu, Xufen; Osswald, Heather L; Agniswamy, Johnson; Wang, Yuan-Fang; Amano, Masayuki; Weber, Irene T; Mitsuya, Hiroaki

Ghosh, Arun K; Yu, Xufen; Osswald, Heather L; Agniswamy, Johnson; Wang, Yuan-Fang; Amano, Masayuki; Weber, Irene T; Mitsuya, Hiroaki.

Afiliação

Ghosh AK; Departments of Chemistry and Medicinal Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, United States.
Yu X; Departments of Chemistry and Medicinal Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, United States.
Osswald HL; Departments of Chemistry and Medicinal Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907, United States.
Agniswamy J; Department of Biology, Molecular Basis of Disease, Georgia State University, Atlanta, Georgia 30303, United States.
Wang YF; Department of Biology, Molecular Basis of Disease, Georgia State University, Atlanta, Georgia 30303, United States.
Amano M; §Departments of Hematology and Infectious Diseases, Kumamoto University Graduate School of Medical and Pharmaceutical Sciences, Kumamoto 860-8556, Japan.
Weber IT; Department of Biology, Molecular Basis of Disease, Georgia State University, Atlanta, Georgia 30303, United States.
Mitsuya H; §Departments of Hematology and Infectious Diseases, Kumamoto University Graduate School of Medical and Pharmaceutical Sciences, Kumamoto 860-8556, Japan.

J Med Chem ; 58(13): 5334-43, 2015 Jul 09.

Article em En | MEDLINE | ID: mdl-26107245

Assuntos

Compostos de Bifenilo/química; Carbamatos/química; Carbamatos/farmacologia; Desenho de Fármacos; Inibidores da Protease de HIV/química; Inibidores da Protease de HIV/farmacologia; Protease de HIV/química; HIV-1/efeitos dos fármacos; Sulfonamidas/química; Sulfonamidas/farmacologia; Sítios de Ligação; Cristalografia por Raios X; Protease de HIV/metabolismo; Humanos; Ligantes; Modelos Moleculares; Simulação de Dinâmica Molecular; Estrutura Molecular; Conformação Proteica; Estereoisomerismo; Relação Estrutura-Atividade; Uretana/química

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Sulfonamidas / Compostos de Bifenilo / Carbamatos / Desenho de Fármacos / Protease de HIV / HIV-1 / Inibidores da Protease de HIV Limite: Humans Idioma: En Revista: J Med Chem Assunto da revista: QUIMICA Ano de publicação: 2015 Tipo de documento: Article País de afiliação: Estados Unidos

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