Structural Stability of Insulin Oligomers and Protein Association-Dissociation Processes: Free Energy Landscape and Universal Role of Water

Mukherjee, S and Acharya, S and Mondal, S and Banerjee, P and Bagchi, B (2021) Structural Stability of Insulin Oligomers and Protein Association-Dissociation Processes: Free Energy Landscape and Universal Role of Water. In: Journal of Physical Chemistry B .

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Abstract

Association and dissociation of proteins are important biochemical events. In this Feature Article, we analyze the available studies of these processes for insulin oligomers in aqueous solution. We focus on the solvation of the insulin monomer in water, stability and dissociation of its dimer, and structural integrity of the hexamer. The intricate role of water in solvation of the dimer- and hexamer-forming surfaces, in long-range interactions between the monomers and the stability of the oligomers, is discussed. Ten water molecules inside the central cavity stabilize the structure of the insulin hexamer. We discuss how different order parameters can be used to understand the dissociation of the insulin dimer. The calculation of the rate using a recently computed multidimensional free energy provides considerable insight into the interplay between protein and water dynamics. © 2021 American Chemical Society.

Item Type:	Journal Article
Publication:	Journal of Physical Chemistry B
Publisher:	American Chemical Society
Additional Information:	The copyright for this article belongs to American Chemical Society
Keywords:	Dissociation; Free energy; Insulin; Molecules; Monomers; Proteins; Solvation; Stability, Association-dissociation process; Free energy landscape; Hexamers; Insulin monomers; Longer-range interaction; Protein associations; Role of water; Structural stabilities; Water dissociation; Water stability, Dimers
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	18 Nov 2021 10:06
Last Modified:	18 Nov 2021 10:06
URI:	http://eprints.iisc.ac.in/id/eprint/70578

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