Biochemistry & Analytical Biochemistry

D Rajasekhar

Publications

• Research Article
  Docking and Molecular Dynamic Simulations of Legionella pneumophila MurB Reductase for Potential Inhibitor Design
  Author(s): Vani Priyadarshini, Dibyabhaba Pradhan, Manne Munikumar, Amineni Umamaheswari, D Rajasekhar and PVLN Srinivasa RaoVani Priyadarshini, Dibyabhaba Pradhan, Manne Munikumar, Amineni Umamaheswari, D Rajasekhar and PVLN Srinivasa Rao
  
  Legionella pneumophila is the causative organism for Legionnaires’ disease, pneumonia and life-threatening prosthetic valve endocarditis. MurB reductase, one of the important enzymes for biosynthesis of peptidoglycan, a component of cell wall, was identified as common drug target against bacterial pathogens causing infective endocarditis including Legionella pneumophila . MurB reductase with FAD acts as a cofactor and catalyzes the NADPH-dependent reduction of UDP-N-acetylenolpyruvylglucosamine (UDP-GlcNAcEP) to UDP-N-acetylmuramic acid. In the present study, 360 structural analogs of FAD were docked to MurB reductase of Legionella pneumophila using sequential protocol of Glide v5.7 implemented in virtual screening workflow of Maestro v9.2. Among seven leads were obtained through docking analysis, only lead1 (XPGscore -13.. View More»
  DOI: 10.4172/2161-1009.1000101

  Abstract PDF