Saxena, MSoni, Love KGupta, Arun KWakode, S RSaxena, A KKaskhedikar, S G2006-02-082009-05-272006-02-082009-05-272006-02-08Saxena M, Soni LK, Gupta AK, Wakode SR, Saxena AK, Kaskhedikar SG. Development of pharmacophoric model of condensed pyridine and pyrimidine analogs as hydroxymethyl glutaryl coenzyme A reductase inhibitors. Indian Journal of Biochemistry & Biophysics. 2006 Feb; 43(1): 32-6http://imsear.searo.who.int/handle/123456789/28533Quantitative structure-activity relationship (QSAR) has been established on a series of thirty-eight compounds of four different sets of condensed pyridine and pyrimidine analogs, for their hydroxymethyl glutaryl coenzyme (HMG-CoA) reductase inhibitor activity, in order to understand the essential structural requirement for binding with receptor, in terms of common biophoric and secondary sites employing APEX-3D software. Among several 3D pharmacophoric models with different sizes and arrangements, one model was selected based on r2 = 0.8, chance<0.001, match equivalent to 0.38 and all the 38 compounds were considered. The results suggest that hydrophobicity, hydrogen acceptor and optimum steric refractivity play a dominant role in the inhibition of HMG-CoA reductase. The information obtained from the present study can be used to design and predict more potent molecules as HMG-CoA reductase inhibitors, prior to their synthesis.engDrug DesignHydroxymethylglutaryl-CoA Reductase Inhibitors --chemical synthesisModels, ChemicalPyridines --chemical synthesisPyrimidines --chemical synthesisQuantitative Structure-Activity RelationshipJournal Article