CoMFA and CoMSIA Studies on 6, 8-Dibromo–4(3H)-Quinazolinone Derivatives for Anti-Bacterial Activity Against Salmonella typhimurium

摘要

In order to explore the structure – activity relationship of quinazolinone moiety for anti-bacterial activity against Salmonella typhimurium , a series of 4(3H) – quinazolinone derivatives were subjected to Comparative molecular field analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) methods. The best models for CoMFA and CoMSIA had correlation coefficient of 0.905 & 0.868 and cross-validated correlation coefficient of 0.501 & 0.592 respectively. The information obtained from the above models might be useful in designing of quinazolinone moiety as potent anti-bacterial agents.