G-QSAR of Novel 2-{[2-(1H-imidazol-1-yl)ethyl]sulfanyl}-1H-benzimidazole Derivatives

Abstract

Abstract:In the present work, we have applied group quantitative structure-activity relationships (G-QSAR) for exploring the relationship between the structures of a new emerging family of 2-{[2-(1H-imidazol-1-yl)ethyl]sulfanyl}-1H-benzimidazole derivatives and their antiprotozoal activities. We have developed descriptive models, in order to aid in further optimization and development of newer antiprotozoal agents containing the benzimidazole pharmacophore. G-QSAR was performed on VLife molecular design suite (MDS) 4.5 version software. The predictive power of the QSAR was checked through the cross validation technique and also by leaving some compounds as part of external test set