CoMFA and CoMSIA Studies on 6, 8-Dibromoâ€“4(3H)-Quinazolinone Derivatives for Anti-Bacterial Activity Against Salmonella typhimurium
In order to explore the structure â€“ activity relationship of quinazolinone moiety for anti-bacterial activity against Salmonella typhimurium, a series of 4(3H) â€“ 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.
2. Mohamed MS, Kamel MK, Kassem EM, Abotaleb N, Abdel-moez S, Ahmeda M, Novel 6,8-dibromo-4(3H) quinazolinone derivatives of anti â€“ bacterial and anti â€“ fungal activities, EJMC, 2010, 45, 3311â€“3319.
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