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Ivan Vito Ferrari

Department of Industrial Engineering, University of Rome Tor Vergata, Rome, Italy

  • Research Article   
    Docking Molecular Analysis of Potential Drug Paritaprevir against Mycobacterium tuberculosis (Mtb)
    Author(s): Ivan Vito Ferrari* and Paolo Patrizio

    Mycobacterium tuberculosis (Mtb) is the causative agent of tuberculosis, which kills 1.8 million annually. This is an infectious disease generally affects the lungs, but can also affect other parts of the body. Mtb RNA polymerase (RNAP) is the target of the first-line antituberculosis drug Rifampin (Rif). We report first time a Potential Drug Paritaprevir against with severe infectious disease, by in silico approach, using Auto dock Vina and Auto dock 4 (or MGL Tool), estimated with Pyrx and AM Dock Software, calculating three different important parameters: Binding Affinity (kcal/mol), estimated Ki (in nM units) and Ligand Efficiency (L.E. in kcal/mol). After a selective analysis of over 1000 drugs, processed with Pyrx (a Virtual Screening software for Computational Drug Discovery) in the Ligand Binding site pocket of the protein (ID PDB 5UHB chain C, DNA-directed R.. Read More»

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