Study on the interaction of polyamine transport (PAT) and 4-Chloro-naphthalimide-homospermidine conjugate (4-ClNAHSPD) by molecular docking and dynamics.

Tian, Zhiyong; Tian, Luyao; Zhao, Sihan; Shi, Man; Guo, Shudi; Wang, Chaojie; Tian, Zhihui; He, Xiaohui

Tian, Zhiyong; Tian, Luyao; Zhao, Sihan; Shi, Man; Guo, Shudi; Wang, Chaojie; Tian, Zhihui; He, Xiaohui.

Afiliación

Tian Z; Institute for Innovative Drug Design and Evaluation, School of Pharmacy, Henan University, Kaifeng, China.
Tian L; School of Pharmacy, Henan University of Chinese Medicine, Zhengzhou, China.
Zhao S; Institute for Innovative Drug Design and Evaluation, School of Pharmacy, Henan University, Kaifeng, China.
Shi M; Institute for Innovative Drug Design and Evaluation, School of Pharmacy, Henan University, Kaifeng, China.
Guo S; Institute for Innovative Drug Design and Evaluation, School of Pharmacy, Henan University, Kaifeng, China.
Wang C; Institute for Innovative Drug Design and Evaluation, School of Pharmacy, Henan University, Kaifeng, China.
Tian Z; The Super Computer Center of Henan, Zhengzhou University, Zhengzhou, China.
He X; The Super Computer Center of Henan, Zhengzhou University, Zhengzhou, China.

J Biomol Struct Dyn ; 40(1): 290-296, 2022 01.

Article en En | MEDLINE | ID: mdl-32856528

Asunto(s)

Simulación de Dinámica Molecular; Naftalimidas; Ligandos; Simulación del Acoplamiento Molecular; Poliaminas

Palabras clave

4-ClNAHSPD; PAT; dynamics; molecular docking

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Naftalimidas / Simulación de Dinámica Molecular Idioma: En Revista: J Biomol Struct Dyn Año: 2022 Tipo del documento: Article País de afiliación: China Pais de publicación: Reino Unido

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