Journal of Blood Disorders & Transfusion

Department of Industrial Engineering, University of Padua, Febbraio, Italy

Publications

• 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.. View more»
  

  Abstract PDF