Experimental and computational characterization of dynamic biomolecular interaction systems involving glycolipid glycans

On cell surfaces, carbohydrate chains that modify proteins and lipids mediate various biological functions, which are exerted not only through carbohydrate–protein interactions but also through carbohydrate–carbohydrate interactions. These glycans exhibit considerable degrees of conformational varia...

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Bibliographic Details
Published in:Glycoconjugate journal 2022-04, Vol.39 (2), p.219-228
Main Authors: Kato, Koichi, Yamaguchi, Takumi, Yagi-Utsumi, Maho
Format: Article
Language:English
Subjects:
Binding sites
Biochemistry
Biomedical and Life Sciences
Carbohydrates
Carbohydrates - chemistry
Computer applications
Glycolipids
Glycoproteins
Life Sciences
Lipids
Magnetic resonance spectroscopy
Mini Review
Molecular dynamics
NMR
Nuclear magnetic resonance
Oligosaccharides
Pathology
Polysaccharides
Polysaccharides - chemistry
Protein Binding
Protein interaction
Tribute to Professor Sen-itiroh Hakomori
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Summary:On cell surfaces, carbohydrate chains that modify proteins and lipids mediate various biological functions, which are exerted not only through carbohydrate–protein interactions but also through carbohydrate–carbohydrate interactions. These glycans exhibit considerable degrees of conformational variability and often form clusters providing multiple binding sites. The integration of nuclear magnetic resonance spectroscopy and molecular dynamics simulation has made it possible to delineate the dynamical structures of carbohydrate chains. This approach has facilitated the remodeling of oligosaccharide conformational space in the prebound state to improve protein-binding affinity and has been applied to visualize dynamic carbohydrate–carbohydrate interactions that control glycoprotein–glycoprotein complex formation. Functional glycoclusters have been characterized by experimental and computational approaches applied to various model membranes and artificial self-assembling systems. This line of investigation has provided dynamic views of molecular assembling on glycoclusters, giving mechanistic insights into physiological and pathological molecular events on cell surfaces as well as clues for the design and creation of molecular systems exerting improved glycofunctions. Further development and accumulation of such studies will allow detailed understanding and artificial control of the “glycosynapse” foreseen by Dr. Sen-itiroh Hakomori.
ISSN:0282-0080
1573-4986
DOI:10.1007/s10719-022-10056-w