Journal of Computer Science & Systems Biology

P. N. Tatode

Publications

• Research Article
  Inhibition Studies of Pyrimidine Class of Compounds on Enoyl-Acp Reductase Enzyme
  Author(s): Sunil H. Ganatra, Manoj N. Bodhe and P. N. TatodeSunil H. Ganatra, Manoj N. Bodhe and P. N. Tatode
  
  Present work is aimed to identify and understand the inhibiting nature of Pyrimidine class of compounds to Enoyl acyl carrier proteinreductase (Enoyl-ACP reductase), which is one of the main receptor proteins used in drug discovery for screening anti-leprosy agents. Series of Pyrimidine based compounds virtually designed using the Molecular mechanic technique. The designed molecules were docked using with crystal structure of Enoyl-ACP reductase (PDB ID : 2NTV) using Autodock molecular docking software. The method uses rigid-protein and flexible ligand-techniques to acquire maximum conformations of ligand molecules. The docking results were evaluated using the acquired binding energy values for each ligand-protein complex. Those molecules having higher negative binding energy values with higher hydrogen bonds are selected for further analysis. The selected molecules show better hyd.. Read More»
  DOI: 10.4172/jcsb.1000097

  Abstract PDF