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

被引：7

作者：

Aanandhi, M. Vijey ^{[1
]}

Bhattacherjee, Debojit ^{[1
]}

George, P. Samuel Gideon ^{[1
]}

Ray, Anirban ^{[2
]}

机构：

[1] Vels Univ VISTAS, Sch Pharmaceut Sci, Dept Pharmaceut Chem & Pharm Practice, Chennai, Tamil Nadu, India

[2] Roland Inst Pharmaceut Sci, Dept Pharmacol, Berhampur, Orissa, India

来源：

JOURNAL OF ADVANCED PHARMACEUTICAL TECHNOLOGY & RESEARCH | 2014年 / 5卷 / 04期

关键词：

Isoniazid; polyphenols; Rv1636; universal stress protein;

D O I：

10.4103/2231-4040.143036

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

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 (1.8 angstrom) hydrogen bonding and two ionic bonding with carboxyl group of curcumin with LEU 130 (3.3 angstrom) and ASN 144 (3.4 angstrom) 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 (1.887 angstrom), ARG 147 (2.064 angstrom) respectively. The study indicates possible new generation curcumin analogue for future therapy to down-regulate USP.

引用

页码：171 / 178

页数：8

共 21 条

[1]

Aanandhi MV, 2014, INVENT RAPID MED CHE, V2, P1

[2] BASIC LOCAL ALIGNMENT SEARCH TOOL [J].

ALTSCHUL, SF ;

GISH, W ;

MILLER, W ;

MYERS, EW ;

LIPMAN, DJ .

JOURNAL OF MOLECULAR BIOLOGY, 1990, 215 (03) :403-410

[3] The SWISS-MODEL workspace: a web-based environment for protein structure homology modelling [J].

Arnold, K ;

Bordoli, L ;

Kopp, J ;

Schwede, T .

BIOINFORMATICS, 2006, 22 (02) :195-201

[4]

Bickerton GR, 2012, NAT CHEM, V4, P90, DOI [10.1038/NCHEM.1243, 10.1038/nchem.1243]

[5]

Bolton EE, 2008, ANN REP COMPUT CHEM, V4, P217

[6]

DeLano W.L., 2004, PYMOL MOL GRAPHICS S

[7] Mycobacterium tuberculosis Universal Stress Protein Rv2623 Regulates Bacillary Growth by ATP-Binding: Requirement for Establishing Chronic Persistent Infection [J].

Drumm, Joshua E. ;

Mi, Kaixia ;

Bilder, Patrick ;

Sun, Meihao ;

Lim, Jihyeon ;

Bielefeldt-Ohmann, Helle ;

Basaraba, Randall ;

So, Melvin ;

Zhu, Guofeng ;

Tufariello, JoAnn M. ;

Izzo, Angelo A. ;

Orme, Ian M. ;

Almo, Steve C. ;

Leyh, Thomas S. ;

Chan, John .

PLOS PATHOGENS, 2009, 5 (05)

[8] CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues [J].

Dundas, Joe ;

Ouyang, Zheng ;

Tseng, Jeffery ;

Binkowski, Andrew ;

Turpaz, Yaron ;

Liang, Jie .

NUCLEIC ACIDS RESEARCH, 2006, 34 :W116-W118

[9] Lennard-Jones potential and dummy atom settings to overcome the AUTODOCK limitation in treating flexible ring systems [J].

Forli, Stefano ;

Botta, Maurizio .

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2007, 47 (04) :1481-1492

[10]

Hensel Michael, 2009, P239

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