Pharmacophore generation and atom-based 3D-QSAR of N-iso-propyl pyrrole-based derivatives as HMG-CoA reductase inhibitors.

ABSTRACT:

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Background

Coronary heart disease continues to be the leading cause of mortality and a significant cause of morbidity and account for nearly 30% of all deaths each year worldwide. High levels of cholesterol are an important risk factor for coronary heart disease. The blockage of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase activity by small molecule inhibitors has been shown to inhibit hypercholesterolemia. Herein, we describe the development of effective and robust pharmacophore model and the structure-activity relationship studies of 43N-iso-propyl pyrrole-based derivatives previously reported for HMG-CoA reductase inhibition.

Results

A 5-point pharmacophore model was developed and the generated pharmacophore model was used to derive a predi

SUBMITTER: Teli MK 

PROVIDER: S-EPMC3519668 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature