<?xml version="1.0" encoding="utf-8"?>
<Journal>
<Journal-Info>
<name>International Journal of Pharma and Bio Sciences</name>
<website>ijpbs.net</website>
<email>editorijpbs@rediffmail.com (or) editorofijpbs@yahoo.com (or) prasmol@rediffmail.com</email>
</Journal-Info>
<article>
<article-id pub-id-type='other'>10.22376/ijpbs.2019.10.1.p1-12</article-id>
<issue_number>Volume 6 Issue 2</issue_number>
<issue_period>2015 (April - June)</issue_period>
<title>IN SILICO SCREENING OF PHYTOCHEMICAL CONSTITUENTS FROM DESMODIUM GYRANS DC. AS GLYCOGEN SYNTHASE KINASE-3β (GSK-3β) </title>
<abstract>In the present study the phytochemical constituents isolated from the ethanol extract of the leaves of  lessThan i greaterThan Desmodium gyrans lessThan /i greaterThan  DC by GC-MS analysis, were subjected to molecular docking studies for the inhibition of glycogen synthase kinase-3β (GSK-3β) protein, a main target for wound healing activity by Wnt signaling pathway. The comparative docking of the isolated phytochemicals and standard drug Nitrofurazone to glycogen synthase kinase-3β has been performed. The activation domain of GSK-3β consisted of Pro 136, Val 135, Asp 200. The activation domain of GSK-3β docked with the phytochemical constituents, ethaverine, mataven, 1,2-Amino-4-(2,4-dichlorophenyl)7-methyl-5-oxo-4H,5H-pyrano(4,3b) pyran-3-carbonitrile, sumatriptan, 1-Methyl-7-(4-nitrophenyl)[1,3] oxazolo [2,3f] purine 2,4(1H,3H)dione, 2-Methylamino-1-phenyl propanone showed the docking scoring of -110.16, -99.48, -90.15, -87.21, -78.48, -61.92 Kcal.mol lessThan sup greaterThan -1 lessThan /sup greaterThan  respectively. The standard showed the docking score of -64.06 Kcal.mol lessThan sup greaterThan -1 lessThan /sup greaterThan  with good affinity toward active pocked. The results revealed that ethaverine is considered as a good inhibitor of GSK-3β.</abstract>
<authors>S. GOPALAKRISHNAN, R. RAJAMEENA AND R. SUBRAMANIAN</authors>
<keywords>Desmodium gyrans, Docking, Phytochemical constituents, Glycogen Synthase  
Kinase -3Î², Ethaverine.
</keywords>
<pages>649-656</pages>
</article>
</Journal>
