Journal: Journal of Pharmacy Research

Article Id: JPRS-PC-0000111
Title: Molecular docking studies: 1, 3-thiazine and 1,3-oxazine dervatives
Category: Pharmaceutical Chemistry
Section: Research Article
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  • Abstract

    Some novel derivatives of 1, 3 thiazines and 1, 3 oxazines were synthesized from five different chalcones with thiobenzamide and benzamide respectively. The synthesized five 1,3 thiazines and 1,3 oxazines derivatives were subjected to molecular docking docking studies against cytochrome p450 14 alpha sterol demethylase from mycobacterium tuberculosis using Argus Lab software .The results indicated that the chalcone derivatives of 1,3 thiazines (ligand binding energy varies from -12.135kcal/molto-14.2547 kcal/mol) shows considerable anti-fungal activity than the chalcone derivatives of 1,3 0xazines (ligand binding energy varies from -11.3042kcal/mol to -13.0389kcal/mol) against cytochrome p450 alpha sterol demethylase from Mycobacterium tuberculosis. Out of 10 derivatives, 3a (Methyl substituted 1, 3 thiazine) possess best ligand pose energy (-13.9505kcal/mol) and have one hydrogen bond .This study suggested that 1, 3 thiazine derivatives could be a potent antifungal activity than 1, 3 oxazine derivatives.

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  • About the authors and Affiliations

    Author(s) Name:

    Girly Tony*, Meena Chandran, A. R Bhat, K. Krishnakumar

    Affiliation(s) Name:

    Department of Pharmaceutical Chemistry, St.James College of Pharmaceutical Sciences, Chalakudy-680307, Kerala,India.

    *Corresponding author.
    Girly Tony
    Department of Pharmaceutical Chemistry,
    St.James College of Pharmaceutical Sciences,
    Chalakudy-680307, Kerala,India.
    e-mail: girlytony@gmail.com

    Received on:17-12-2013; Revised on: 08-01-2014; Accepted on:19-01-2014

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    Author:

    Girly Tony*, Meena Chandran, A. R Bhat, K. Krishnakumar

    Title:Molecular docking studies: 1, 3-thiazine and 1,3-oxazine dervatives
    Journal:Journal of Pharmacy Research
    Vol(issue):8 (February)
    Year:2014
    Page No: (136-138)
  • Experimental Methods Keywords

    Methodology:molecular docking docking studies
    Research Materials:1, 3-thiazine and 1,3-oxazine dervatives

Keywords

Oxazine Thiazine Argus Lab Anti-fungal activity

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