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Mechanistic insights into osmolyte action in protein stabilization under harsh conditions: N-methylacetamide in glycine betaine-urea mixture

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Title Mechanistic insights into osmolyte action in protein stabilization under harsh conditions: N-methylacetamide in glycine betaine-urea mixture
 
Creator KUMAR, N
KISHORE, N
 
Subject Osmolyte
Hydrogen bonding
Counteraction
Coordination number
Radial distribution function
MOLECULAR-DYNAMICS
FORCE-FIELD
WATER
OXIDE
COUNTERACTION
DENATURATION
SIMULATIONS
STABILITY
ABILITY
SOLVATION
 
Description Glycine betaine (GB), a small naturally occurring osmolyte, stabilizes proteins and counteracts harsh denaturing conditions such as extremes of temperature, cellular dehydration, and presence of high concentration of urea. In spite of several studies on understanding mechanism of protein stabilization and counteraction of these harsh conditions by osmolytes, studies centred on GB, one of the most important osmolyte, are scarce, hence, there is need for more investigations. To explore mechanism of protein stabilization and counteraction of denaturing property of urea by GB, molecular dynamics studies of N-methylacetamide (NMA), a model peptide representing denatured state of a protein, in the presence of GB, urea, and GB-urea mixture were carried out. The results show that GB and urea work such that the strength of GB as a protecting osmolyte is increased and the denaturing ability of urea is decreased in the GB-urea mixture. It can be inferred that GB counteracts urea by decreasing its hydrophobic interactions with proteins. The mutual interactions between GB and urea also play an important role in protein stabilization. This study provides insights on osmolyte induced counteraction of denaturing property of urea. (C) 2014 Elsevier B.V. All rights reserved.
 
Publisher ELSEVIER SCIENCE BV
 
Date 2014-12-28T17:02:24Z
2014-12-28T17:02:24Z
2014
 
Type Article
 
Identifier CHEMICAL PHYSICS, 443133-141
0301-0104
1873-4421
http://dx.doi.org/10.1016/j.chemphys.2014.09.010
http://dspace.library.iitb.ac.in/jspui/handle/100/16952
 
Language English