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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/116/02/0093-0099

    • Keywords

       

      Anti-HIV agents; molecular modelling; van der Waals volume; cytotoxic activity; HEPT analogues; equalized electronegativity

    • Abstract

       

      QSAR studies on anti-HIV cytotoxic activities of a series of HEPT(1-[(2-hydroxyethoxy) methyl]-6-(phenylthio)-thymine) analogues have been discussed. The molecular descriptors used being van der Waals volume(Vw) and equalized electronegativity (χeq). Thein vitro cytotoxicities (pCC50) were modelled using these parameters. It was observed that upon introduction of indicator parameters statistically excellent models are obtained. The predictive power of the models was examined using a cross-validation method

    • Author Affiliations

       

      Vijay K Agrawal1 Kamlesh Mishra1 Ruchi Sharma1 P V Khadikar2

      1. QSAR and Computer Chemical Laboratories, APS University, Rewa - 486 003, India
      2. Research Division, Laxmi Fumigation and Pest Control Pvt. Ltd., 3, Khatipura, Indore - 452 007, India
    • Dates

       
  • Journal of Chemical Sciences | News

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