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Cholesterol accumulation leads to coronary heart disease, artherosclerosis, non-insulin dependent diabetes and various other cardiovascular diseases. Apolipoprotein B-100 (ApoB-100) is an integral part of very-low-density lipoprotein (VLDL), intermediate-density lipoprotein (IDL) and low density lipoprotein (LDL), and it plays a key role as a transporter of cholesterol and triacylglycerols to cells throughout the body. Microsomal trigylceride transfer protein (MTP) is a dependent factor as it transfers triglycerides onto lipoprotein particles. The Lipoprotein N-terminal domain (LPD_N)is found in ApoB-100 and MTP. Our study involves the design of suitable small inhibitor molecules to bind to Lipoprotein N-terminal domain and inhibit primarily ApoB-100. A library of designed compounds was virtually screened. 14 compounds have been designed that may potentially paralyze its cholesterol transport function. Molecular docking analysis of the ApoB-100 target and designed small inhibitor molecules provides evidence of effective binding of the compounds and interacting residues have been examined. This study could be promising in the discovery of drugs that reduce cholesterol accumulation and therefore result in potential decrease of cardiovascular

Discovery of Apob Small Inhibitor Molecules by Computer Aided Drug Design to Lower Cholesterol Accumulation Based On Docking Analysis