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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/112/02/0137-0146

    • Keywords

       

      Quantitative structure-activity relationship; Wiener and Szeged indices; antitubercular activity; fluorophenyl quinolones; modelling of drug activity

    • Abstract

       

      The paper gives a brief account of the recently introduced Szeged index (Sz). Using this index antitubercular activities of N-2,4-difluorophenyl quinolones are subjected to quantitative structure-activity relationship analysis. The potential of Sz related to the Wiener index (W) is critically discussed. In addition, Huckel molecular orbital energies:EHOMO,ELUMO andEtotal were also used for comparing and modelling antitubercular activities of the quinolones. The results, based on univariate as well as multivariate regressions, have shown that W, SZ andEtotal give better results and that the correlations improve in multivariate regression analyses.

    • Author Affiliations

       

      Vijay K Agrawal1 Shahnaz Bano1 Keshav C Mathur1 Padmakar V Khadikar2

      1. Department of Chemistry, APS University, Rewa - 486 003, India
      2. Research Division, Laxmi Pest & Fumigation Pvt. Ltd., 3 Khatipura, Indore - 452 007, India
    • Dates

       
  • Journal of Chemical Sciences | News

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