Palanivelu Manoj Kumar

Publications of Palanivelu Manoj Kumar

• Quantitative structure-activity relationships of selective antagonists of glucagon receptor using QuaSAR descriptors.

  Authors: Palanivelu Manoj Kumar, Chandrabose Karthikeyan, Narayana Subbiah Hari Narayana Moorthy, Piyush Trivedi

  Chemical & pharmaceutical bulletin. 12/2006; 54(11):1586-91.

  In the present paper, quantitative structure activity relationship (QSAR) approach was applied to understand the affinity and selectivity of a novel series of triaryl imidazole derivatives towardsIn the present paper, quantitative structure activity relationship (QSAR) approach was applied to understand the affinity and selectivity of a novel series of triaryl imidazole derivatives towards glucagon receptor. Statistically significant and highly predictive QSARs were derived for glucagon receptor inhibition by triaryl imidazoles using QuaSAR descriptors of molecular operating environment (MOE) employing computer-assisted multiple regression procedure. The generated QSAR models revealed that factors related to hydrophobicity, molecular shape and geometry predominantly influences glucagon receptor binding affinity of the triaryl imidazoles indicating the relevance of shape specific steric interactions between the molecule and the receptor. Further, QSAR models formulated for selective inhibition of glucagon receptor over p38 mitogen activated protein (MAP) kinase of the compounds in the series highlights that the same structural features, which influence the glucagon receptor affinity, also contribute to their selective inhibition.