医薬品設計: オープンアクセス
オープンアクセス

概要

An Insight into Antimicrobial Activity Substituted Benzimidazole Derivatives through QSAR Studies.

Mukesh C Sharma

The QSAR studies were performed on a series of benzimidazole derivatives to find out the structural requirements of their antimicrobial activities. The QSAR studies have been carried out using electronic, thermodynamic, spatial and structural descriptors along with a few structural parameters. The best QSAR (S.aureus) model having r2= 0.7886 and q2 = 0.7269 was developed by principle component regression. The results derived may be useful in further designing of more potent antimicrobial agents in series. Analysis of 2D-QSAR models provides details on the fine relationship linking structure and activity and offers clues for structural modifications that can improve the activity.