Pharmacophore mapping based virtual screening, molecular docking and ADMET studies of ROCK II inhibitors

Mult Scler Relat Disord. 2018 Apr:21:35-41. doi: 10.1016/j.msard.2018.02.011. Epub 2018 Feb 12.

Authors

Surmil Shah¹, Bhumika Patel¹, Jignasa K Savjani²

Affiliations

¹ Department of Pharmaceutical Chemistry Institute of Pharmacy, Nirma University, S.G.Highway, Ahmedabad, Gujarat 382481, India.
² Department of Pharmaceutical Chemistry Institute of Pharmacy, Nirma University, S.G.Highway, Ahmedabad, Gujarat 382481, India. Electronic address: jignasa.savjani@nirmauni.ac.in.

PMID: 29455072
DOI: 10.1016/j.msard.2018.02.011

No abstract available

MeSH terms

Databases, Chemical
Drug Discovery
Enzyme Inhibitors / chemistry
Enzyme Inhibitors / metabolism
Enzyme Inhibitors / pharmacokinetics
Enzyme Inhibitors / therapeutic use*
Humans
Molecular Docking Simulation*
Multiple Sclerosis / drug therapy*
Quantitative Structure-Activity Relationship
ROC Curve
User-Computer Interface*
rho-Associated Kinases / antagonists & inhibitors*
rho-Associated Kinases / chemistry*

Substances

Enzyme Inhibitors
ROCK2 protein, human
rho-Associated Kinases