Study on the interaction of ertugliflozin with human serum albumin in vitro by multispectroscopic methods, molecular docking, and molecular dynamics simulation.

Wang, Wenjing; Gan, Na; Sun, Qiaomei; Wu, Di; Gan, Ruixue; Zhang, Man; Tang, Peixiao; Li, Hui

Wang, Wenjing; Gan, Na; Sun, Qiaomei; Wu, Di; Gan, Ruixue; Zhang, Man; Tang, Peixiao; Li, Hui.

Afiliação

Wang W; School of Chemical Engineering, Sichuan University, Chengdu 610065, China.
Gan N; School of Chemical Engineering, Sichuan University, Chengdu 610065, China.
Sun Q; School of Chemical Engineering, Sichuan University, Chengdu 610065, China.
Wu D; Key Laboratory of Meat Processing of Sichuan, College of Pharmacy and Biological Engineering, Chengdu University, Chengdu 610106, China. Electronic address: diwulab@163.com.
Gan R; School of Chemical Engineering, Sichuan University, Chengdu 610065, China.
Zhang M; School of Chemical Engineering, Sichuan University, Chengdu 610065, China.
Tang P; School of Chemical Engineering, Sichuan University, Chengdu 610065, China.
Li H; School of Chemical Engineering, Sichuan University, Chengdu 610065, China. Electronic address: lihuilab@sina.com.

Spectrochim Acta A Mol Biomol Spectrosc ; 219: 83-90, 2019 Aug 05.

Article em En | MEDLINE | ID: mdl-31030051

Assuntos

Compostos Bicíclicos Heterocíclicos com Pontes/metabolismo; Albumina Sérica Humana/metabolismo; Inibidores do Transportador 2 de Sódio-Glicose/metabolismo; Humanos; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular; Ligação Proteica; Conformação Proteica/efeitos dos fármacos; Albumina Sérica Humana/química; Termodinâmica

Palavras-chave

Ertugliflozin; Fluorescence spectroscopy; Human serum albumin (HSA); Molecular docking; Molecular dynamics (MD) simulation analyses

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Compostos Bicíclicos Heterocíclicos com Pontes / Albumina Sérica Humana / Inibidores do Transportador 2 de Sódio-Glicose Limite: Humans Idioma: En Revista: Spectrochim Acta A Mol Biomol Spectrosc Ano de publicação: 2019 Tipo de documento: Article

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