Computational Approach For Optimizing Inhibitors Of HMG-CoA Reductase | 4756
Journal of Biotechnology & Biomaterials
Like us on:
Our Group organises 3000+ Global Conferenceseries Events every year across USA, Europe & Asia with support from 1000 more scientific Societies and Publishes 700+ Open Access Journals which contains over 50000 eminent personalities, reputed scientists as editorial board members.
Coronary artery disease isone of the most investigated diseases in medicinal chemistry. HMG-CoA reductase (or 3-hydroxy-
3-methyl-glutaryl-CoA reductase or HMGCR) is the rate-controlling enzyme of the mevalonate pathway, the metabolic
pathway that produces cholesterol and other isoprenoids. Normally in mammalian cells this enzyme is suppressed by cholesterol
derived from the internalization and degradation of low density lipoprotein (LDL) via the LDL receptor as well as oxidized species
of cholesterol. This enzyme is thus the target of the widely available cholesterol-lowering drugs known collectively as the statins.
In present study crystal structure of HMG-coA 1HWK was prepared. Active site was identified. Virtual screening was
performed against ligand data set prepared from different literature search and ZINC data base to identify a lead molecule. This
lead molecule was optimized using molecular dynamics. These lead molecules show good docking score than statins.
Peer Reviewed Journals
Make the best use of Scientific Research and information from our 700 + peer reviewed, Open Access Journals