Comparative Insilico Docking Study Involving Antagonistic Activity of CoumarinDerivatives on EGFR and CDK2
Abstract
Epidemiological evidence suggests that about 25% of cancer occurs due to chronic inflammation, thus it is clear that cancer and inflammation are related. 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 so the purpose of this study is to screen the best target among EGFR and CDK2. Docking analysis was carried out using AutoDock4. 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 phytoconsitutents isofraxidin andscopoletin.
Downloads
References
2. P.K Jain, Himashu Joshi. Coumarin: chemical and pharmacological profile. Journal Of Applied Pharmaceutical Science.2012, 2, 6,236-40.
3. Aoife Lacy and Richard O’ Kennedy. Studies on Coumarin and Coumarin –Related compounds to determine their therapeutic role in the treatment of cancer. Current Pharmaceutical Design .2004, 10, 3797-3811.
4. Nicola Normanno, Antonella De Luca, Caterina Bianco et.al.Epidermal Growth Factor receptor signalling in cancer.Gene.2006,366,1,2-12.
5. B.Rude Voldborg, Damstrup, M.Spang- Thomsen, H.Skovgaard Poulsen. Epidermal Growth Factor receptor (EGFR) and EGFR mutations, function and possible role in clinical trials. Annals of Oncology.1997, 8, 12, 1197-1206.
6. Arun kumar V.A, Keshav Mohan. Insights into binding of potential antitumour qunoxaline analogues against cyclin dependent kinase 2 using docking studies. Journal of chemical, biological and physical sciences.2012, 4, 2, 2419-274.
7. Sunil H Ganatra, Amita S Suchak.Inhibition Studies of Naturally Occuring Terpene based compounds with Cyclin – Dependent kinase 2 enzymes .Journal of computer Science system biology.2012, 5, 2, 68-73.
8. Susmi M.S, Revathy S Kumar, Sreelakshmi V et.al. A computational approach for identification of phytochemicals for targeting and optimizing the inhibitors of heat shock proteins. Research Journalof Pharmacy and Technology.2015, 8, 9, 1199-1204.
9. Elizabet R.Rayburn, Scharri J.Ezell and Ruiwen Zhang. Anti –inflammatory agents for cancer therapy. Journal of molecular cell pharmacology.2009, 1, 1, 29-43.
10. S.Mirunalini, M. Krishnaveni. Coumarin: A Plant derived polyphenol with wide biomedical applications. International Journal of pharma Tech Research.2011, 3, 3, 1693-96.
11. Pradeep N.V, Anupama, Vidyashree K.G et.al. In silico characterisation of industrial important cellulases using computational tools .Advances in Life Science and Technology.2012, 4, 8-15.
12. Reshma Thomas, R.Hari, Josna Joy et.al. In silico docking approach of coumarin derivatives as an aromatase antagonist. Research journal of pharmacy and technology.2013, 8, 12, 1673-78
13. Sekhar A S, Basker V, Saranya T S, in silico approach of apoptosis induing ability of different indole derivatives by interaction with caspase 9, 2016, 40, 2, 92-102
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.
Copyright © Author(s) retain the copyright of this article.
.