<?xml version="1.0" encoding="utf-8"?>
<Journal>
<Journal-Info>
<name>International Journal of Pharma and Bio Sciences</name>
<website>ijpbs.net</website>
<email>editorijpbs@rediffmail.com (or) editorofijpbs@yahoo.com (or) prasmol@rediffmail.com</email>
</Journal-Info>
<article>
<article-id pub-id-type='other'>10.22376/ijpbs.2019.10.1.p1-12</article-id>
<issue_number>Volume 4 Issue 3 </issue_number>
<issue_period>2013 (July - September)</issue_period>
<title>CRYSTAL STRUCTURE AND MOLECULAR DOCKING ANALYSIS OF DIFURFURYLIDENE SUCCINIC ACID WITH CYCLOOXYGENASES </title>
<abstract>The structure of 2,3-Bis-(1-furan-2-yl-ethylidene)-succinic acid (Furan succinic acid (FSA)) has been established by X-ray crystallography to understand the structure-activity relationship, which is of paramount importance in the pharmaceutical studies of the compound. Compound showed carbonyl–π and C-H…O interactions along with O-H…O interactions in the assembly of the supramolecular architecture. Crystal structure analysis of FSA possessing anti-inflammatory activity was extrapolated to docking study to elucidate the action against enzyme cyclooxygenases. Using AutoDock suite, FSA was docked at the binding sites of COX-1 and COX-2 enzymes and a strong affinity of -6.55kcal/mol, K lessThan sub greaterThan i lessThan /sub greaterThan  = 15.93 µM and -6.96kcal/mol, K lessThan sub greaterThan i lessThan /sub greaterThan  = 7.91µM, respectively was observed with formation of hydrogen bonds and hydrophobic interactions. These results suggest that FSA can be a promising lead for the development of COX family inhibitors.</abstract>
<authors>PRASHANTHA KARUNAKAR, V.KRISHNAMURTHY ,C. R. GIRIJA AND V. KRISHNA</authors>
<keywords>Prostaglandin, Molecular Docking, X-ray Crystallography, COX-1 and COX-2.</keywords>
<pages>912-921</pages>
</article>
</Journal>
