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
{"title":"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 �\nA QSAR and QSPR Study","authors":"ip Kumar Rajak","doi":"10.29055/jccs/679","DOIUrl":null,"url":null,"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","PeriodicalId":15337,"journal":{"name":"Journal of Chemistry and Chemical Sciences","volume":"22 1 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2018-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemistry and Chemical Sciences","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.29055/jccs/679","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
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