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Natural polyphenols down-regulate universal stress protein in Mycobacterium tuberculosis: An in-silico approach

Universal stress protein (USP) is a novel target to overcome the tuberculosis resistance. Our present study enlightens the possibilities of some natural polyphenols as an antioxidant for USP. The study has shown some molecular simulations of some selected natural antioxidants with USP. We have consi...

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Autores principales: Aanandhi, M. Vijey, Bhattacherjee, Debojit, George, P. Samuel Gideon, Ray, Anirban
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Medknow Publications & Media Pvt Ltd 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4215480/
https://www.ncbi.nlm.nih.gov/pubmed/25364695
http://dx.doi.org/10.4103/2231-4040.143036
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author Aanandhi, M. Vijey
Bhattacherjee, Debojit
George, P. Samuel Gideon
Ray, Anirban
author_facet Aanandhi, M. Vijey
Bhattacherjee, Debojit
George, P. Samuel Gideon
Ray, Anirban
author_sort Aanandhi, M. Vijey
collection PubMed
description Universal stress protein (USP) is a novel target to overcome the tuberculosis resistance. Our present study enlightens the possibilities of some natural polyphenols as an antioxidant for USP. The study has shown some molecular simulations of some selected natural antioxidants with USP. We have considered USP (Rv1636) strain for homology modeling and the selected template was taken for the docking study. Curcumin, catechin, reservetrol has shown ARG 136 (1.8Å) hydrogen bonding and two ionic bonding with carboxyl group of curcumin with LEU 130 (3.3Å) and ASN 144 (3.4Å) respectively. INH was taken for the standard molecule to perform molecular simulation. It showed poor binding interaction with the target, that is, −5.18 kcal, and two hydrogen bonding with SER 140 (1.887Å), ARG 147 (2.064Å) respectively. The study indicates possible new generation curcumin analogue for future therapy to down-regulate USP.
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spelling pubmed-42154802014-10-31 Natural polyphenols down-regulate universal stress protein in Mycobacterium tuberculosis: An in-silico approach Aanandhi, M. Vijey Bhattacherjee, Debojit George, P. Samuel Gideon Ray, Anirban J Adv Pharm Technol Res Original Article Universal stress protein (USP) is a novel target to overcome the tuberculosis resistance. Our present study enlightens the possibilities of some natural polyphenols as an antioxidant for USP. The study has shown some molecular simulations of some selected natural antioxidants with USP. We have considered USP (Rv1636) strain for homology modeling and the selected template was taken for the docking study. Curcumin, catechin, reservetrol has shown ARG 136 (1.8Å) hydrogen bonding and two ionic bonding with carboxyl group of curcumin with LEU 130 (3.3Å) and ASN 144 (3.4Å) respectively. INH was taken for the standard molecule to perform molecular simulation. It showed poor binding interaction with the target, that is, −5.18 kcal, and two hydrogen bonding with SER 140 (1.887Å), ARG 147 (2.064Å) respectively. The study indicates possible new generation curcumin analogue for future therapy to down-regulate USP. Medknow Publications & Media Pvt Ltd 2014 /pmc/articles/PMC4215480/ /pubmed/25364695 http://dx.doi.org/10.4103/2231-4040.143036 Text en Copyright: © Journal of Advanced Pharmaceutical Technology & Research http://creativecommons.org/licenses/by-nc-sa/3.0 This is an open-access article distributed under the terms of the Creative Commons Attribution-Noncommercial-Share Alike 3.0 Unported, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Original Article
Aanandhi, M. Vijey
Bhattacherjee, Debojit
George, P. Samuel Gideon
Ray, Anirban
Natural polyphenols down-regulate universal stress protein in Mycobacterium tuberculosis: An in-silico approach
title Natural polyphenols down-regulate universal stress protein in Mycobacterium tuberculosis: An in-silico approach
title_full Natural polyphenols down-regulate universal stress protein in Mycobacterium tuberculosis: An in-silico approach
title_fullStr Natural polyphenols down-regulate universal stress protein in Mycobacterium tuberculosis: An in-silico approach
title_full_unstemmed Natural polyphenols down-regulate universal stress protein in Mycobacterium tuberculosis: An in-silico approach
title_short Natural polyphenols down-regulate universal stress protein in Mycobacterium tuberculosis: An in-silico approach
title_sort natural polyphenols down-regulate universal stress protein in mycobacterium tuberculosis: an in-silico approach
topic Original Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4215480/
https://www.ncbi.nlm.nih.gov/pubmed/25364695
http://dx.doi.org/10.4103/2231-4040.143036
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