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  • Chem Sci Trans., 2015, 4(2),  pp 595-603  

    DOI:10.7598/cst2015.995

    Research Article

    Synthesis, Molecular Docking and Biological Evaluation of Substituted Quinazolinones as Antibacterial Agents

  • ARUN MAHATO*1, BIRENDRA SHRIVASTAVA2 and NITHYA SHANTHI1
  • 1Department of Pharmaceutical Sciences, Sardar Bhagwan Singh PG Institute of Biomedical Sciences & Research, Balawala, Dehradun, 248161, India
    22School of Pharmaceutical Sciences, Jaipur National University, Jagatpura, Jaipur, 302025, India
  • Abstract

    A series of 7-chloro-2,3-disubstituted-4(3H)-quinazolinones (4a-j) were synthesized by the reaction of 3-amino-7-chloro-2-phenylquinazolin-4(3H)-one (3) with various amines in presence of formaldehyde. The starting material for the compounds was 2-amino-4-chloro benzoic acid. The structures of the compounds were characterized by IR, 1H NMR, elemental analyses. Docking analysis of quinazolinone derivatives was done with DNA gyrase protein which was carried out by means of the AutoDockTools (ADT) v 1.5.4 and AutoDock v 4.2 programs. All compounds interacted with DNA gyrase protein. Preclinical evaluation of the compounds was ascertained by in silico toxicity, blood-brain barrier and drug like properties. All compounds were investigated for their antibacterial activity. Overall, compound (4b) showed better properties as a drug like candidate.

    Keywords

    Quinazolinone, DNA gyrase, Docking, In silico toxicity, Antibacterial

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