High-throughput virtual screening with e-pharmacophore and molecular simulations study in the designing of pancreatic lipase inhibitors.

ABSTRACT:

Background

Obesity is a progressive metabolic disorder in the current world population, and is characterized by the excess deposition of fat in the adipose tissue. Pancreatic lipase is one of the key enzymes in the hydrolysis of triglycerides into monoglycerides and free fatty acids, and is thus considered a promising target for the treatment of obesity. The present drugs used for treating obesity do not give satisfactory results, and on prolonged usage result in severe side effects. In view of the drastic increase in the obese population day-to-day, there is a greater need to discover new drugs with lesser side effects.

Materials and methods

High-throughput virtual screening combined with e-pharmacophore screening and ADME (absorption, distribution, metabolism, and excretio

SUBMITTER: Veeramachaneni GK 

PROVIDER: S-EPMC4532172 | biostudies-literature | 2015

REPOSITORIES: biostudies-literature