Identification of protein tyrosine phosphatase 1B (PTP1B) inhibitors through De Novo Evoluton, synthesis, biological evaluation and molecular dynamics simulation.

Wu, Jingwei; Ma, Yangchun; Zhou, Hui; Zhou, Liang; Du, Shan; Sun, Yingzhan; Li, Weiya; Dong, Weili; Wang, Runling

Wu, Jingwei; Ma, Yangchun; Zhou, Hui; Zhou, Liang; Du, Shan; Sun, Yingzhan; Li, Weiya; Dong, Weili; Wang, Runling.

Afiliação

Wu J; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China.
Ma Y; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China.
Zhou H; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China.
Zhou L; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China.
Du S; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China.
Sun Y; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China.
Li W; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China.
Dong W; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China. Electronic address: dongweili@tmu.edu.cn.
Wang R; Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics (Theranostics), School of Pharmacy, Tianjin Medical University, Tianjin, 300070, China. Electronic address: wangrunling@tmu.edu.cn.

Biochem Biophys Res Commun ; 526(1): 273-280, 2020 05 21.

Article em En | MEDLINE | ID: mdl-32209254

Assuntos

Inibidores Enzimáticos/química; Inibidores Enzimáticos/farmacologia; Simulação de Dinâmica Molecular; Proteína Tirosina Fosfatase não Receptora Tipo 1/antagonistas & inibidores; Desenho de Fármacos; Inibidores Enzimáticos/síntese química; Concentração Inibidora 50; Análise de Componente Principal; Conformação Proteica; Proteína Tirosina Fosfatase não Receptora Tipo 1/química; Proteína Tirosina Fosfatase não Receptora Tipo 1/metabolismo

Palavras-chave

Computer aided drug design; De Novo Evoluton; Molecular dynamics simulation; PTP1B; Type-2 diabetes mellitus

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article