Structural and Dynamical Disparity in D-Glucopyranose Oligomers Having Diverse Glycosidic Linkages

Posted: 19 Feb 2020

See all articles by Sruthi Peesapati

Sruthi Peesapati

BITS Pilani Hyderabad Campus

Durba Roy

BITS Pilani Hyderabad Campus

Date Written: February 19, 2020

Abstract


Polysaccharides derived from D-glucopyranoside units are called glucans. They feature diverse glycosidic linkage patterns, mostly 1-3, 1-4 and/or 1-6 types and can exist in two anomeric forms, alpha or beta. In nature, glucans play a major role in energy-supply and storage. Apart from being the primary source of energy, polysaccharides belonging to the type of β-glucan are also beneficial in blocking metabolic pathways, which can otherwise prove detrimental to health, e.g., cholesterol absorption in the gut. Usually, β-glucan is a linear 1-3 or 1-4 linked polysaccharide, with 1-6 side chains. Natural ingredients like cell walls of cereals, e.g. oats and barley, bacteria and fungi contain these polysaccharides. Depending on the source of extraction, they vary in chemical and physical diversity. Considering their vital properties and huge potency to combat dyslipidemia, the current work involves thorough structural and dynamical comparison of the basic glucan variants through modeling and molecular dynamics simulation. Our simulation results indicate that the two anomeric series of glucans have contrasting structural and dynamical behavior. A change in glycosidic linkage pattern interferes with the oligosaccharide litheness, H-bonding pattern and solvent exposure.

Keywords: Oligosaccharides, Beta glucan, glycosidic linkage, simulation

Suggested Citation

Peesapati, Sruthi and Roy, Durba, Structural and Dynamical Disparity in D-Glucopyranose Oligomers Having Diverse Glycosidic Linkages (February 19, 2020). Proceedings of International Conference on Drug Discovery (ICDD) 2020, Available at SSRN: https://ssrn.com/abstract=3540836

Sruthi Peesapati

BITS Pilani Hyderabad Campus ( email )

Shameerpet
Hyderabad
Hyderabad, Telangana 500078
India

Durba Roy (Contact Author)

BITS Pilani Hyderabad Campus ( email )

Shameerpet
Hyderabad
Hyderabad, Telangana 500078
India

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