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Journal of Biological Sciences

Year: 2013 | Volume: 13 | Issue: 6 | Page No.: 545-549
DOI: 10.3923/jbs.2013.545.549
Study of Structure Based Drug Design for 1,4 Dihydropyridine Derivatives as Cox-II Inhibitors
Madhavi Mutha, Rishkesh Antre, Kamalkishor Baheti and Punam More

Abstract: In this research, an attempt was made to develop the docking studies of series of 1,4 dihydropyridine derivatives with cyclo-oxygenase-2 (COX-2) inhibitor (PDB-code 1CX2) to identify potential candidates with minimum dock score for anti-inflammatory activity. Molecular docking analysis was carried out to better understand the interactions between 1CX2 target and inhibitors in this series. Hydrophobic, hydrogen bond and vanderwaal’s interactions lead to the identification of active binding sites. A set of twenty-four novel 1,4 dihydropyridine derivatives with anti-inflammatory activity was subjected to the docking studies using Vlife MDS 4.0. drug designing module. The results of the docking studies were found to endorse the result of the experimental work in future. Therefore, it can be said that the strategy employed can serve as an important tool in future for the design and development of novel therapeutic agents with minimal side effects of various categories too.

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How to cite this article
Madhavi Mutha, Rishkesh Antre, Kamalkishor Baheti and Punam More, 2013. Study of Structure Based Drug Design for 1,4 Dihydropyridine Derivatives as Cox-II Inhibitors. Journal of Biological Sciences, 13: 545-549.

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