Determination of Structural Requirements of N-Substituted Tetrahydro-β-Carboline Imidazolium Salt Derivatives Using in Silico Approaches for Designing MEK-1 Inhibitors

Determination of Structural Requirements of N-Substituted Tetrahydro-β-Carboline Imidazolium Salt Derivatives Using in Silico Approaches for Designing MEK-1 Inhibitors

Novel N-substituted tetrahydro-β-carboline imidazolium salt derivatives proved to have potent antitumor activity in past research. The Topomer CoMFA and CoMSIA function in Sybyl-X 2.0 software was applied for the identification of important features of N-substituted tetrahydro-β-carboline-imidazoliu...

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Bibliographic Details
Main Authors: Jingwei Liang, Mingyang Wang, Xinyang Li, Xin He, Chong Cao, Fanhao Meng
Format: Article
Language:English
Published: MDPI AG 2017-06-01
Series:Molecules
Subjects:
3D-QSAR
MEK-1
inhibitors
docking
molecular dynamics simulations
Online Access:http://www.mdpi.com/1420-3049/22/6/1020

Internet

http://www.mdpi.com/1420-3049/22/6/1020

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