NISCAIR Online Periodicals Repository

NISCAIR ONLINE PERIODICALS REPOSITORY (NOPR)  >
NISCAIR PUBLICATIONS >
Research Journals >
Indian Journal of Biochemistry and Biophysics (IJBB) >
IJBB Vol.48 [2011] >
IJBB Vol.48(3) [June 2011] >


Title: Molecular modeling of 2-nitropropane dioxygenase domain of Mycobacterium tuberculosis H37Rv and docking of herbal ligands
Authors: Ramesh, K V
Akhila, B N
Deshmukh, Sudha
Keywords: DOCK
Enoyl reductase domain
Fatty acid synthase
2-Nitropropane dioxygenase
SWISS MODEL
Mycobacterium tuberculosis H37Rv
Issue Date: Jun-2011
Publisher: NISCAIR-CSIR, India
Abstract: The 3D structure of enoyl reductase (ER) domain generated by the SWISS MODEL server contains the 2-nitropropane dioxygenase (2NPD) structure displaying the TIM barrel fold. Though TIM barrel fold is made up of both main and inserted domains, in our study, we could only predict the structure of the main domain, which had central barrel of eight β-strands surrounded by eight α-helices. Superimposition of the 2NPD region of ER domain of Mycobacterium tuberculosis H37Rv on to the corresponding region of 2UVA_G revealed a good structural alignment between the two, suggesting this template to be a good structural homologue. Among various herbal ligands that were screened as inhibitors, daucosterol was found to bind in closest proximity to the flavin mono nucleotide (FMN) binding site with the lowest docking energy.
Page(s): 164-169
CC License:  CC Attribution-Noncommercial-No Derivative Works 2.5 India
ISSN: 0975-0959 (Online); 0301-1208 (Print)
Source:IJBB Vol.48(3) [June 2011]

Files in This Item:

File Description SizeFormat
IJBB 48(3) 164-169.pdf637.81 kBAdobe PDFView/Open
 Current Page Visits: 506 
Recommend this item

 

National Knowledge Resources Consortium |  NISCAIR Website |  Contact us |  Feedback

Disclaimer: NISCAIR assumes no responsibility for the statements and opinions advanced by contributors. The editorial staff in its work of examining papers received for publication is helped, in an honorary capacity, by many distinguished engineers and scientists.

CC License Except where otherwise noted, the Articles on this site are licensed under Creative Commons License: CC Attribution-Noncommercial-No Derivative Works 2.5 India

Copyright © 2012 The Council of Scientific and Industrial Research, New Delhi. All rights reserved.

Powered by DSpace Copyright © 2002-2007 MIT and Hewlett-Packard | Compliant to OAI-PMH V 2.0

Home Page Total Visits: 509625 since 06-Feb-2009  Last updated on 11-Apr-2014Webmaster: nopr@niscair.res.in