హెల్త్ & మెడికల్ ఇన్ఫర్మేటిక్స్ జర్నల్

Predictive Activity Modeling of 2-Substituent-1H-Benzimidazole-4- Carboxamide Derivatives against Enteroviruses using QSAR Approach

Abstract

Mukesh C Sharma *

Abstract

The present study was focused on development of the potential compound containing 2-substituent-1Hbenzimidazole- 4-carboxamide derivatives against enteroviruses using QSAR studies. We discussed the twodimensional QSAR studies of 2-substituent-1H-benzimidazole-4-carboxamide analogues to elucidate the structural properties required for enteroviruses activity. The 2D-QSAR studies were performed using multiple linear regressions, giving square of correlation coefficient (r2)=0.7458, cross validated squared correlation coefficient (q2)=0.7128 and predictable ability (pred_r2)=0.7092. The present study reveals that presence of less bulky group at R1 position of benzimidazole scaffold increase the enteroviruses activity. We hope that the current study provides better insight into the designing and development of more potent benzimidazole-4-carboxamide inhibitors as enteroviruses drug in the future.