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Quantitative structure-activity relationship studies on 5-phenyl-3-ureido-1,5-benzodiazepine as cholecystokinin-A
Vijay K Agrawal1, Ruchi Sharma, Padmakar V Khadikar
1QSAR and Computer Chemical Laboratories, Department of Chemistry, A. P. S. University, -486 003, Rewa, India
Bioorganic & Medicinal Chemistry
|September 6, 2002
Abstract:
Quantitative structure-activity relationship (QSAR) studies on a series of 5-phenyl-3-ureido-1,5-benzodiazepine-2,4-diones has been carried out using a pool of distance-based topological indices. Step-wise regression analysis indicated that penta-parametric regression expression containing Sz, B, Ip1, Ip2 and Ip3 is the most potent and selective for CCK-A affinity. The predictive potential of the model is discussed on the basis of cross-validation parameters as well as by estimating root mean square (RMSR) of the residuals.