A Correlation of the Drug Activities (Anti-bacterial) in the Structure of Some Hetero Cyclic Compound Containing Benzimidazole and Beta-lactam Moiety in Terms of the Density Functional Descriptors � A QSAR and QSPR Study

ip Kumar Rajak
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Abstract

Present study shows the correlation of activity of as many as 13 Anti-bacterial (containing benzimidazole and beta-lactam moiety) drugs in terms of global reactivity descriptors under paradigm of QSPR/QSAR study. Investigation of antimicrobial activity of the compounds was done by using Gram- positive (S. aureus, S. mutans and B. subtilis) bacteria. The global descriptors nicely correlate the variation of activity with structures of the drug molecules
基于密度功能描述符的含苯并咪唑-内酰胺杂环化合物抑菌活性的相关性——QSAR和QSPR研究
本研究发现,在QSPR/QSAR研究范式下,多达13种抗菌药物(含苯并咪唑和β -内酰胺部分)的活性在全局反应性描述符上存在相关性。用革兰氏阳性菌(金黄色葡萄球菌、变形葡萄球菌和枯草芽孢杆菌)对化合物的抗菌活性进行了研究。全局描述符很好地将活性的变化与药物分子的结构联系起来
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