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    • Keywords


      QSAR studies; DNA synthesis; hydroxyureas; Wiener index; frontier molecular orbital energy; topological indices

    • Abstract


      A novel method for the study of inhibition of DNA synthesis by hydroxyurea(s) using topological indices and frontier molecular orbital energies:Ehomo,Elumo andEtotal is described. The data suggest that the inhibitory activities of urea(s) can be successfully modelled by these molecular descriptors. Excellent results are obtained in multivariate systems as well as upon introducing a dummy parameter.

    • Author Affiliations


      Vijay K Agrawal1 Shahnaz Bano1 Keshav C Mathur1 Padmakar V Khadikar2 Sneha Karmarkar2 Manorama Mandloi3 Nitin S Sapre4

      1. Department of Chemistry, APS University, Rewa - 486 003, India
      2. Research Division, Laxmi Pest & Fumigation Pvt. Ltd., 3 Khatipura, Indore - 452 007, India
      3. Department of Chemistry, Holkar Model and Autonomous College, Indore - 452 001, India
      4. Institute of Chemical Sciences, DAVV, Indore - 452 001, India
    • Dates

  • Journal of Chemical Sciences | News

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