Photo Gallery

Login

Search

News & Updation

  • Updated Version
  • WJPPS introducing updated version of OSTS (online submission and tracking system), which have dedicated control panel for both author and reviewer. Using this control panel author can submit manuscript
  • Call for Paper
    • WJPPS  Invited to submit your valuable manuscripts for Coming Issue.
  • Journal web site support Internet Explorer, Google Chrome, Mozilla Firefox, Opera, Saffari for easy download of article without any trouble.
  •  
  • WJPPS Impact Factor
  • Its our Pleasure to Inform you that WJPPS Impact Factor has been increased from  7.454 to 7.632  due to high quality Publication at International Level

  • ICV
  • WJPPS Rank with Index Copernicus Value 84.65 due to high reputation at International Level

  • WJPPS APRIL ISSUE PUBLISHED
  • APRIL 2021 Issue has been successfully launched on 1 April 2021.

Abstract

MOLECULAR DOCKING STUDY OF InhA INHIBITORS ON CATECHOL-O-METHYLTRANFERASE

*Shirish Deshpande, Harmish G. Patel

ABSTRACT

Catechol-O-methyltranferase (COMT) is the enzyme that catalyse the transfer of methyl group from S-Adenosyl L- Methionine (SAM) to phenolic group of catecholic molecule. COMT inhibitors are used in the adjunct therapy of Parkinson’s disease. The present investigation is based on the hypothesis that there is active site similarity between the Catechol-O-methyltranferase and enoyl acyl carrier protein reductase (InhA) of Mycobacterium Tuberculosis, enzyme essential for bacterial cell wall synthesis. Docking study performed for two hundred molecules having anti-tubercular activity on COMT enzyme using BioMed CAChe software. Out of them, molecules with best dock score were selected and slight functional group modification were made in some molecules. In silico physicochemical properties like dipole moment, electron affinity, di-electric energy, steric energy, ionization potential, log P, shape index, solvent accessible surface area etc. evaluated by BioMed CAChe software for the selected molecules and Toxicity study like tumorigenicity, mutagenicity, reproductive effect predicted using OSIRIS property explorer.

Keywords: Catechol-O-methyltranferase, Molecular docking, InhA inhibitors, Parkinson’s disease.


[Full Text Article]

Call for Paper

World Journal of Pharmacy and Pharmaceutical Sciences (WJPPS)
Read More

Online Submission

World Journal of Pharmacy and Pharmaceutical Sciences (WJPPS)
Read More

Email & SMS Alert

World Journal of Pharmacy and Pharmaceutical Sciences (WJPPS)
Read More