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  • Chem Sci Trans., 2018, 7(4),  pp 576-587  

    DOI:10.7598/cst2018.1518

    Research Article

    Molecular Docking Study of Novel Aryl Imine Derivatives for Anti Staphylococcus aureus

  • SHALINI1*, BIRENDRA KUMAR1 and P.K. RAMAN2
  • 1Department of Chemistry, Gaya College, Magadh University, Gaya-824234, India
    2Prajna Generics Pvt Ltd, Aleap Industrial Area, Pragatinagar, Hyderabad-500090, India
  • Abstract

    In this work, we collected three dimensional structure of Sortase A from Staphylococcus aureus which plays an important role in structural stability of staphylococcus aureus. The protein structure was collected from PDB data bank. From the 3D structure of the protein, the targeted structure was developed. Docking studies was performed with designed compounds. The derivatives docked to the protein by hydrogen boding interactions and these interactions play an important role in the binding studies. Docking results showed the best compounds among the derivatives.

    Keywords

    Antibacterial activity, Docking studies, Sortase A, Staphylococcus aureus

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