Probing the binding mechanism of substituted pyridine derivatives as effective and selective lysine-specific demethylase 1 inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations-Reference-Cited by-同舟云学术

Probing the binding mechanism of substituted pyridine derivatives as effective and selective lysine-specific demethylase 1 inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations

Published:2018-12-05 Issue:13 Volume:37 Page:3482-3495
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Wang Zhi-Zheng¹,Yang Jing¹,Sun Xu-Dong¹,Ma Chao-Ya¹,Gao Qi-Bing¹,Ding Lina¹,Liu Hong-Min¹

Affiliation:

1. Collaborative Innovation Center of New Drug Research and Safety Evaluation, Henan Province, Key Laboratory of Technology of Drug Preparation (Zhengzhou University), Ministry of Education of China, Key Laboratory of Henan Province for Drug Quality and Evaluation, School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou, PR China

Funder

National Natural Science Foundation of China

Educational Award from Ministry of Education

International training of high-level talents in Henan (2017) from Henan Administration of Foreign Experts Affairs

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2018.1518158

Reference43 articles.

1. 3D-QSAR, molecular docking, and molecular dynamic simulations for prediction of new Hsp90 inhibitors based on isoxazole scaffold