Drug Designing: Open Access
Open Access

Development and validation of a robust QSAR model for prediction piperazine and ketopiperazine derivatives renin inhibitors

International Conference and Exhibition on Computer Aided Drug Design & QSAR

October 29-31, 2012 DoubleTree by Hilton Chicago-North Shore, USA

Jimish R Patel, Mukesh S Patel and Laxman M Prajapati

Accepted Abstracts: Drug Design

Abstract :

QSAR model development of 120 piperazine and Ketopiperazine was carried out to predict the based for renin enzyme inhibitors. The ratio of IC 50 for Renin inhibitor was taken as biological activity. Physicochemical parameters were calculated using Dragon software, version 5.5. Sequential multiple linear regression analysis was carried out to derive QSAR models, which were further evaluated for statistical significance and predictive power by internal and external validation. The QSAR model indicates that the descriptors (EEig13d, Mor05e, F06) play an important role in Renin binding. Background: Renin is a key player in the renin?angiotensin system, therapeutic treatment of hypertension and heart failure. Diabetic nephropathy and diabetic retinopathy, respectively, leading cause of ESRD and blindness in the United States and much of the rest of the world. The differential diagnosis of kidney cancer in a young patient with hypertension includes juxtaglomerular cell tumor, Wilms' tumor, and renal cell carcinoma, all of which may produce renin.