Development of Rational Strategy for Selective COX-2 Inhibitors Searching as Potential Anticancer Drugs

Abstract

Molecular docking for 145 compounds (4-thiazolidinone derivatives and related heterocyclic systems) has shown in vitro anticancer activity into the active site of enzyme COX-2 using crystallographic models 1CX2 and 6COX (www.rcsb.org). In silico investigations were performed stageby-stage with OpenEye Scientific Software program package. As a result selected 20 compounds, that are thiopyrano [2,3d] thiazole-2-ones, 5-arylidene-4-thioxo-2-thiazolidinone and 2-thioxo-(heteryl, imino or oxo)-4-thiazolidinone derivatives selective COX-2 inhibition with blockage of COX-2 pathway in cancerogenesis, which determines a role of selective COX2 inhibitors in prevention and treatment of cancer.

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Cite this paper

@inproceedings{Senthilraja2012DevelopmentOR, title={Development of Rational Strategy for Selective COX-2 Inhibitors Searching as Potential Anticancer Drugs}, author={M. Senthilraja and Vasyl Atamanyuk and Roman Lesyk and Danylo V. ATAMANYUK and Boris Zimenkovsky}, year={2012} }