Medicina Alternativa e Integrativa

Molecular Modeling Studies of Some Substituted 2-Phenyl-benzimidazole Derivatives as Inhibitors of IgE Response

Abstract

Mukesh C. Sharma

We perform the two-dimensional (2D) QSAR studies of a series of substituted 2-phenyl-benzimidazole analogues to elucidate the structural properties required inhibitors of IgE response. The 2D-QSAR studies were performed using three statistical methods: the multiple linear regressions, giving square of correlation coefficient r2=0.8386, cross validated squared correlation coefficient q2=0.7218 and predictable ability pred_r2=0.7525; Multiple linear regression (MLR). The results show that the proposed 2D-QSAR models are valid and that they can be applied to predict the activities of substituted 2-phenyl-benzimidazole inhibitors of IgE response.