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  • Chem Sci Trans., 2014, 3(4),  pp 1418-1426  

    DOI:10.7598/cst2014.890

    Research Article

    Microwave Assisted Synthesis, Molecular Docking and HIV-1 gp120 CD4 Binding Inhibition Studies of Symmetrical N, N'-disubstituted Urea/Thiourea

  • SREE KANTH SIVAN, RADHIKA VANGALA and VIJJULATHA MANGA*
  • Molecular Modeling and Medicinal Chemistry Group, Department of Chemistry, University College of Science, Osmania University, Hyderabad-500007, India
  • Abstract

    An effective and eco friendly procedure under microwave irradiation, for synthesis of symmetrical disubstituted alkyl and aryl ureas from amine hydrochlorides using water as solvent medium has been developed. Based on molecular docking studies on HIV-1 gp120, synthesized compounds were evaluated for HIV-1 gp120 CD4 binding inhibition and these molecules showed micro molar range (0.047 μM to 4.07 μM) of inhibition.

    Keywords

    Disubstituted ureas, Amine hydrochlorides, Microwave irradiation, HIV-1 gp120, Docking

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