Journal of Chemical and Pharmaceutical Research

Abstract The use of quantitative structure–activity relationships, since its advent, has become increasingly helpful in understanding many aspects of biochemical interactions in drug research . This approach was utilized to explain the relationship of structure with biological activity of antibacterial. For the development of new fungicides against, the quantitative structural–activity relationship (QSAR) analyses for fungicidal activities of Pyrroledione Derivatives were carried out using multiple linear regression (MLR) Quantitative structure–activity relationship (QSAR) analysis was performed on a series of 3-Bromo-4-(1-H-3-Indolyl)-2, 5-Dihydro-1H-2, 5- Pyrroledione Derivatives.QSAR investigations were based on Hansch's extra thermodynamic multi-parameter approach. QSAR investigations reveal that steric and electrostatic interactions are primarily responsible for enzyme–ligand interaction . These studies produced good predictive models and give statistically significant ...

Abstract  The use of quantitative structure–activity relationships, since its advent, has become increasingly helpful in understanding many aspects of biochemical interactions in drug research. This approach was utilized to explain the relationship of structure with biological activity of antibacterial. For the development of new fungicides against, the quantitative structural–activity relationship (QSAR) analyses for fungicidal activities of Pyrroledione   Derivatives were carried out using multiple linear regression (MLR) Quantitative structure–activity relationship (QSAR) analysis was performed on a series of 3-Bromo-4-(1-H-3-Indolyl)-2, 5-Dihydro-1H-2, 5- Pyrroledione Derivatives.

Abstract  Tuberculosis, which is caused by single infectious agent Mycobacterium tuberculosis, is one of the most important infectious diseases. Tuberculosis is a major public health problem with approximately 2 million annual deaths. In the present study QSAR analysis of a series of substituted 2-polyfluoroalkyl and 2-Nitrobenzylsulphanyl benzimidazoles was performed using V-LIFE MDS 3.0 software 2D QSAR models were developed using partial least square (PLS) and variable selection methods. Out of 10 models developed. the two best 2D QSAR models having highest correlation coefficient and cross validated squared correlation coefficient were selected for further study, which were r2 = 0.9013,q2 = 0.7676, F test = 73.0375 pred_r2 = -0.1772, pred_r2se = 0.5646 and r2 = 0.8441, q2 = 0.7088, F test = 27.0819 pred_r2 = -0.1082, pred_r2se = 0.5478 .