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Design and in silico analysis of ring-A monosubstituted chalcones as potential anti-inflammatory agents

Publication Type : Journal Article

Publisher : Bull Pharm Res

Source : Bull Pharm Res, Volume 2, Number 2, p.70–77 (2012)

Url : http://www.appconnect.in/app/journalUploads/dp-5-4.pdf

Campus : Kochi

School : School of Pharmacy

Department : Pharmaceutical Chemistry & Analysis

Year : 2012

Abstract : A 51-membered library of simple chalcones bearing a single substituent on ring-A was rationally designed. All the compounds therein were minimized using CORINA software and the target protein cyclooxygenase (COX) was normalized using CHIRON energy minimization server. Subsequently, each member of the library was docked onto an optimal, energy-minimized conformation of the human cyclooxygenase target using ArgusLab and AutoDock programs. About ten of these ligands had high docking scores, exhibited drug-likeliness and appeared to have enhanced binding to COX compared to the clinical anti-inflammatory agent - ibuprofen.

Cite this Research Publication : R. Balasubramanian and Vijayagopal, R., “Design and in silico analysis of ring-A monosubstituted chalcones as potential anti-inflammatory agents”, Bull Pharm Res, vol. 2, pp. 70–77, 2012.

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