• QSAR Study of Benzimidazole Derivatives Against MetAPs Using MLR Approach

Abstract

Here Benzimidazole analogues have been used to correlate the inhibition activity with the topoShape and geomShape descriptors for studying the Quantitative Structure Activity Relationship (QSAR). Correlation may be an adequate predictive model which can help to provide guidance in designing and subsequently yielding greatly specific compounds that may have reduced side effects and improved pharmacological activities. We have used Multiple Linear Regression (MLR) for developing QSAR model. For the validation of the developed QSAR model, statistical analysis such as cross validation test, quality factor, fischers test, root mean square deviation (RMSD) etc.; have been performed and all the tests validated this QSAR model with fraction of variance r2 = 0.8181.