Differences of Atomic-Level Interactions between Midazolam and Two CYP Isoforms 3A4 and 3A5.

Liu, Shuhui; Zheng, Qingchuan; Bai, Fuquan

Liu, Shuhui; Zheng, Qingchuan; Bai, Fuquan.

Afiliación

Liu S; Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun 130023, China.
Zheng Q; School and Hospital of Stomatology, Jilin University, Changchun 130023, China.
Bai F; Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun 130023, China.

Molecules ; 28(19)2023 Oct 01.

Article en En | MEDLINE | ID: mdl-37836743

Asunto(s)

Citocromo P-450 CYP3A; Midazolam; Humanos; Midazolam/química; Citocromo P-450 CYP3A/metabolismo; Sistema Enzimático del Citocromo P-450/metabolismo; Dominio Catalítico; Isoformas de Proteínas/metabolismo

Palabras clave

CYP 3A4; CYP 3A5; binding free energy; enzymesubstrate interaction; midazolam; molecular dynamic simulation

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Texto completo: 1 Base de datos: MEDLINE Asunto principal: Midazolam / Citocromo P-450 CYP3A Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2023 Tipo del documento: Article

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