Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry and Computational Chemistry

Abstract

Comparative In Silico Docking Study Involving Antagonistic Activity of Coumarin Derivatives on EGFR and CDK2

Author(s): Nithin EU, Stebin Joseph, Asha Asokan Manakadan, Saranya TS

Epidemiological evidence suggests that about 25% of cancer occurs due to chronic inflammation, thus it is clear that cancer and inflammation are related [1]. Piroxicam is the one of the drug that is used in the treatment of both cancer and inflammation, but it is having some side effects like constipation, blurring of vision, skin rashes etc., Coumarin is having both anti-inflammatory and anti-cancer activity [2,3], so the purpose of this study is to screen the best target among Epidermal Growth Factor Receptor (EGFR) and Cyclin-dependent Kinase-2 (CDK2). Docking analysis was carried out using Argus lab 4.0.1. From the study it was found that EGFR showed better result compare to CDK2. Also methyl substitution at 8th position and chlorine substitution at 5th position of coumarin showed better activity than standard drug piroxicam and phytoconstituents isofraxidin and scopoletin.


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