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  • Title: Identification of novel inhibitors of bacterial surface enzyme Staphylococcus aureus Sortase A.
    Author: Chenna BC, Shinkre BA, King JR, Lucius AL, Narayana SV, Velu SE.
    Journal: Bioorg Med Chem Lett; 2008 Jan 01; 18(1):380-5. PubMed ID: 18023345.
    Abstract:
    In-silico virtual screening of bacterial surface enzyme Staphylococcus aureus Sortase A against commercial compound libraries using FlexX software package has led to the identification of novel inhibitors. Inhibition of enzyme catalytic activity was determined by monitoring the steady state cleavage of a model peptide substrate. Preliminary structure activity relationship studies on the lead compound resulted in the identification of compounds with improved activity. The most active compound has an IC50 value of 58 microM against the enzyme.
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