Ontology highlight
ABSTRACT:
SUBMITTER: Luo X
PROVIDER: S-EPMC6268882 | biostudies-literature | 2012 Feb
REPOSITORIES: biostudies-literature
Luo Xingyan X Shu Mao M Wang Yuanqiang Y Liu Jin J Yang Wenjuan W Lin Zhihua Z
Molecules (Basel, Switzerland) 20120217 2
Human mitotic kinesin Eg5 plays an essential role in mitoses and is an interesting drug target against cancer. To find the correlation between Eg5 and its inhibitors, structure-based 3D-quantitative structure-activity relationship (QSAR) studies were performed on a series of dihydropyrazole and dihydropyrrole derivatives using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methods. Based on the LigandFit docking results, predictive 3D- ...[more]