Abstract:
:A set of seventy four molecules belonging to the class of thioglitazones were subjected to the QSAR analysis for their antihyperglycemic activity. All the molecules were subjected to energy minimization to get 3D structures, followed by conformational analysis to get the conformation of the molecule associated with the least energy and highest stability. Various physico-chemical parameters were then calculated using ALCHEMY 2000 software, namely, thermodynamic parameters, structure-dependant parameters, topological parameters and charge-dependant parameters. Multiple linear regression analysis was carried out on all the molecules. The final equation was developed by choosing optimal combination of descriptors after removing the outliers. Cross validation was performed by leave one out method to arrive at the final QSAR model for the chosen set of molecules to exhibit antihyperglycemic activity.
journal_name
Indian J Pharm Scijournal_title
Indian journal of pharmaceutical sciencesauthors
Prashantha Kumar BR,Nanjan MJdoi
10.4103/0250-474X.45392subject
Has Abstractpub_date
2008-09-01 00:00:00pages
565-71issue
5eissn
0250-474Xissn
1998-3743journal_volume
70pub_type
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