Volume 20 No 8 (2022)
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InsilicoScreening for Identification of Novel Acyl-CoA:Cholesterol Acyltransferase Inhibitors
Shainda Laeeq , Dr. Vishal Dubey
Abstract
Our work is on molecular modeling to find novel ACAT inhibitors as antihyperlipidemic agent. Hyperlipidemia is disease of great concern today as it leads to atherosclerosis which progress to Angina Pectoris, Myocardial Infarction and ultimately Cardiac Arrest. Many pharmacophore models were created using known ACAT inhibitors. After doing the literature survey we developed a small virtual library of compounds to find alternative anti-hyperlipidemia targets in cells to determine if the lipidlowering impact was attributable to ACAT inhibition. This study attempts to identify ACAT inhibitor as viable hyperlipidemia treatment. A heterocyclic substance has rings comprised of atoms from two distinct elements. Quinoline, benzothiophene, indole, benzofuran, benzthiazole, benzimidazole, and benzoxazole are pyridine, thiophene, pyrrole, and furan. Heterocyclic moiety with benzoxazole and benzthiazole group as a pharmacophore was lead to their derivatives which were subjected to molecular modeling with various Insilco techniques. This helped in getting some novel compounds against ACAT enzyme having good docking score. They showed great binding with the ACAT receptor as our target site. These docked heterocyclic compound against ACAT receptor will be further screened to get promising candidates as antihyperlipidemic drugs.
Keywords
Hyperlipidemia, obesity, Open Babel, docking studies, binding affinity
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