PHARMACOPHORE MAPPING AND VIRTUAL SCREENING ON HUMAN ALPHA AMYLASE INHIBITORS
AbstractDiabetes is a non communicable chronic metabolic disease characterized by high blood glucose level in the body. Targeting alpha amylase to control diabetes has long been studied. This study focused on developing pharmacophore model for set of inhibitor that possess anti amylase activity based on previous studies. Developing a pharmacophore model for these compound yields a hypothesis of ADDRR. Furthermore 3D QSAR model is carried out with good correlation activity for training set as .98 and test set as .92. Database screening for the developed model list out top compounds. High throughput virtual screening is performed for this top compound set. Two ligands quercetin 3-glucosyl rhamnosyl galactoside and rhodionin is found to have good binding affinity over alpha amylase
Article Information
38
2127-32
782
1629
English
Ijpsr
S. Santhosh
Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thirumalaisamudram, Thanjavur - 613401, India.
santhosharni@gmail.com
26 September, 2014
22 November, 2014
20 January, 2015
10.13040/IJPSR.0975-8232.6(5).2127-32
01 May, 2015
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