%0 Journal Article
%T COMPUTER-AIDED DESIGN AND SCREENING OF CHALCONES AS NOVEL PPAR GAMMA AGONISTS
%A Archana Kumari. D. N. S. S.*
%J International Journal of Pharmacy and Technology
%D 2010
%I IJPT
%X Type II diabetes mellitus is a chronic metabolic disorder and PPARs were found to be better targets in lowering glucose levels. Here, we report a computer-aided drug design approach to screen various chalcones, designed using substituted benzaldehydes and acetophenones from e-molecule library, as possible PPAR gamma agonists using Molegro Virtual Docker software. Based on the dock scores and molecular weight comparisons of top 50 compounds from a designed data set of 2500 chalcones, compound 17_37 displayed a dock score of -230.10 kcal/mol with a maximum of 11 H-bond interactions.
%K chalcone
%K diabetes
%K PPARgamma
%K docking
%U http://www.ijptonline.com/wp-content/uploads/2010/03/38-65.pdf