Structure Based Molecular Docking Studies of 2, 6-Diphenylpiperidin-4-Ol Derivatives Inhibition on Renin

Author(s): M. Meenakumari, K.S. Meena and R. Girija

Abstract: Renin (4PYV) [1] has been considered to be a highly attractive paradigm to treat hypertension and to protect from end-organ damage [3]. In our work, the way of combined ligand- and structure-based approach was applied to analyze the interaction with 2,6-diphenylpiperidin-4-ol derivatives [2] on renin. 2,6-diphenylpiperidin-4-ol derivatives (D1-D7) was found to show similar structure of some Anti-hypertensive drugs via Qikprop. To further expound the binding modes of these inhibitors with 4PYV active sites, three docking programs, standard precision (SP) Glide, and extra precision (XP) Glide, Prime MM-GBSA were used. The characteristics of the active sites were then described by the conformations of the docking results. In conclusion 2,6-diphenylpiperidin-4-ol derivative with best binding energy was noted to have high potency against Hypertension and related diseases.

PAGES: 993-998  |  138 VIEWS  203 DOWNLOADS