DISCOVERY OF NEW RENIN INHIBITORS LEADS BY USING VIRTUAL SCREENING OF PHARMACOPHORE DESIGN
The aim of present study was to develop renin inhibitor as anti-hypertensive drug. Selective inhibition of the renin has gained attraction as an interesting approach to control hypertension and associated cardiovascular risk factors given its unique position in the renin–angiotensin system. Using a best validated HypoGen model consists of four pharmacophore features; 1) two hydrogen bond acceptors, 2) one hydrogen bond donor and 3) one hydrophobic. Identification of common pharmacophore features responsible for inhibiting activity Renin using Hip Hop module of catalyst software 4.11 from Accelrys. Development and Validation of quantitative pharmacophore hypothesis for series of Renin Receptors using HypoGen/Hypo Refine module of catalyst software 4.11 from Accelrys. Generation of 10,000 molecules from the drug using Scaffold Hoping technique. Prediction of activity for designed molecules using the Hypo Refine model and to identify novel and potent Renin inhibitors using Lipinski Rule of Five. The Pharmacophore developed in this study using Renin inhibitors shows distinct chemical features that may be responsible for activity of the inhibitors. The knowledge concerning the features in pharmacophore patterns is expected to be useful in identifying and designing receptors with greater selectivity. The potent inhibitors obtained as result may be used as lead for drug development.