Author(s): Neenapriya Prasad Nair, Josna Joy, Silpa. S. Kumar, S.Sathianarayanan, Asha Ashokan Manakadan, Saranya T.S

Email(s): saranyats19347@aims.amrita.edu

DOI: 10.5958/0974-360X.2016.00445.5   

Address: Neenapriya Prasad Nair, Josna Joy, Silpa. S. Kumar, S.Sathianarayanan, Asha Ashokan Manakadan, Saranya T.S*
Department of Pharmaceutical Chemistry and Analysis, Amrita School of Pharmacy, Amrita Vishwa Vidyapeetham, Amrita University, AIMS Health Science Campus, Ponekkara P.O.,Kochi-682041,Kerala,India
Corresponding Author

Published In:   Volume - 9,      Issue - 12,     Year - 2016


ABSTRACT:
Coumarin, a well-known organic compound for its wide range of activities, incorporating a benzene and pyrone ring together, belongs to benzopyrone family. Piroxicam is the drug that is used in the treatment of inflammation as well as cancer but it possess certain side effects like constipation, blurred vision etc. Coumarin shows anti-inflammatory and anticancer activity based on different substitution on it. The purpose of this study is to screen the best target among Caspase-8 and PDE4. Arguslab 4.0.1 docking analysis was performed to find out the best ligand which shows highest score for anti-inflammatory and anti-cancer activity and compared with the standard drug piroxicam. The phytoconstituents like isofraxidin and scopoletin having coumarin pharmacophore were also used for docking analysis. Among the twenty eight analogues of coumarin, twenty four showed good score for caspase 8 and all compounds possess good score for PDE4 compared to piroxicam. The best target among caspase 8 and PDE4 for anti- inflammatory and anti-cancer activity was found to be PDE4 and ethyl substitution at the 7th position of coumarin derivatives showed good affinity against PDE4.


Cite this article:
Neenapriya Prasad Nair, Josna Joy, Silpa. S. Kumar, S.Sathianarayanan, Asha Ashokan Manakadan, Saranya T.S. In-silico Docking Studies of Coumarin Derivatives as Caspase 8 and PDE4 Antagonist. Research J. Pharm. and Tech 2016; 9(12):2199-2204. doi: 10.5958/0974-360X.2016.00445.5


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RNI: CHHENG00387/33/1/2008-TC                     
DOI: 10.5958/0974-360X 

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