Ram Kishore Agrawal

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Quantitative Structure-Activity Relationship (QSAR) is based on the hypothesis that changes in molecular structure reflect changes in the observed response or biological activity. The success of any quantitative structure–activity relationship model depends on the accuracy of the input data, selection of appropriate descriptors, statistical tools and the(More)
The metabotropic glutamate (mGluRs) receptors are a distinct class of G-protein-coupled receptors that act through activation of phospholipase C and/or inhibition of adenylate cyclase. They encompass seven-transmembrane domain proteins, comprehensively expressed in neuronal and glial cells within the brain, spinal cord and periphery and are involved in(More)
Neurodegenerative disorders are major consequences of excessive apoptosis caused by a proteolytic enzyme known as caspase-3. Therefore, caspase-3 inhibition has become a validated therapeutic approach for neurodegenerative disorders. We performed pharmacophore modeling on some synthetic derivatives of caspase-3 inhibitors(More)
Quantitative structure–activity relationship (QSAR) is an attempt to correlate structural or property descriptors of compounds quantitatively with biological activities. QSARs currently are being applied in many disciplines, with many pertaining to drug design and environmental risk assessment. The 3D QSARs between the structures of 29 quinoline compounds(More)
Quantitative structure–activity relationship (QSAR) studies were performed on β-carboline derivatives for prediction of anticancer activity. The statistically significant 2D-QSAR model having r 2 = 0.726 and q 2 = 0.654 with pred_r 2 = 0.763 was developed by stepwise multiple linear regression method. In order to understand the structural requirement of(More)
In a search of better InhA inhibitory activity, QSAR studies were performed on a series of B-ring modified diaryl ether derivatives. Stepwise multiple linear regression analysis was performed to derive QSAR models which were further evaluated for statistical significance and predictive power by internal and external validations. The best QSAR model showed(More)
Motivation. Inhibition of tumor necrosis factor alpha (TNF–D) is an important strategy for the treatment of various inflammatory, infectious, immunological, or malignant diseases such as Crohn's disease, rheumatoid arthritis and psoriasis. Therefore, the TNF–D inhibitory activity of xanthines, pteridinediones and related compounds has been analyzed with(More)
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