Coronary heart disease has been shown to be related to low levels of high-density lipoprotein cholesterol (HDL-C) in blood plasma, and consequently methods of controlling HDL-C levels are sought to reduce the risk of heart disease. Inhibition of the cholesteryl ester transfer protein (CETP) – the protein that transports cholesteryl esters from high-density lipoprotein (HDL) to low- and very low-density lipoproteins (LDLs and VLDLs) – has shown potential as a therapy.
Tarun Jha and a team from Jadavpur University have performed studies on a series of 2-arylbenzoxazoles to define the structural requirements of a good CETP inhibitor. The 2D QSAR study using using PCR, PLS and MLR techniques and kNN-MFA 3D QSAR results have generated a pharmacophore that they hope will provide a good scaffold for the design of future potent CETP inhibitors.
Download the paper today to read the details of their findings – it’s free to access until the end of 2011:
Chemometric modeling and pharmacophore mapping in coronary heart disease: 2-arylbenzoxazoles as cholesteryl ester transfer protein inhibitors
Dhritiman Jana, Amit Kumar Halder, Nilanjan Adhikari, Milan Kumar Maiti, Chanchal Mondal and Tarun Jha
Med. Chem. Commun., 2011, Advance Article
DOI: 10.1039/C1MD00135C
