NMR investigations of glycan conformation, dynamics, and interactions

Angulo, Jesús ORCID: https://orcid.org/0000-0001-7250-5639, Ardá, Ana, Bertuzzi, Sara, Canales, Angeles, Ereño-Orbea, June, Gimeno, Ana, Gomez-Redondo, Marcos, Muñoz-García, Juan C., Oquist, Paola, Monaco, Serena, Poveda, Ana, Unione, Luca and Jiménez-Barbero, Jesús (2024) NMR investigations of glycan conformation, dynamics, and interactions. Progress in Nuclear Magnetic Resonance Spectroscopy, 144-145. pp. 97-152. ISSN 0079-6565

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Abstract

Glycans are ubiquitous in nature, decorating our cells and serving as the initial points of contact with any visiting entities. These glycan interactions are fundamental to host-pathogen recognition and are related to various diseases, including inflammation and cancer. Therefore, understanding the conformations and dynamics of glycans, as well as the key features that regulate their interactions with proteins, is crucial for designing new therapeutics. Due to the intrinsic flexibility of glycans, NMR is an essential tool for unravelling these properties. In this review, we describe the key NMR parameters that can be extracted from the different experiments, and which allow us to deduce the necessary geometry and molecular motion information, with a special emphasis on assessing the internal motions of the glycosidic linkages. We specifically address the NMR peculiarities of various natural glycans, from histo-blood group antigens to glycosaminoglycans, and also consider the special characteristics of their synthetic analogues (glycomimetics). Finally, we discuss the application of NMR protocols to study glycan-related molecular recognition events, both from the carbohydrate and receptor perspectives, including the use of stable isotopes and paramagnetic NMR methods to overcome the inherent degeneracy of glycan chemical shifts.

Item Type:	Article
Additional Information:	Acknowledgments: This work was supported by the European Research Council (788143-RECGLYCANMR to J.J.-B) and Marie-Skłodowska-Curie actions (ITN Glytunes grant agreement No 956758 to J.E.-O; and ITN Glyco-N under grant agreement no. 101119499 to J.J.B.). We also acknowledge the European Commission for the GLYCOTWINNING project and CIBERES, an initiative of Instituto de Salud Carlos III (ISCIII, Madrid, Spain). We thank Agencia Estatal de Investigación of Spain for grants PID2019-107770RA-I00 (J.E.-O.), PDI2021-1237810B-C21 (J.J.B. & A-A.), and the Severo Ochoa Center of Excellence Accreditation CEX2021‐001136‐S, all funded by MCIN/AEI/10.13039/501100011033. J.A. and J.C.M.-G. acknowledges the Ministerio de Ciencia e Innovación for funding through grant PID2022-142879NB-I00. S.M. thanks UKRI for funding via a Future Leaders Fellowship awarded to Prof. Matthew Wallace (MR/T044020/1). We also thank Dr. Unai Atxabal for his support with some figures.
Uncontrolled Keywords:	conformation,glycans,glycoproteins,lectins,molecular recognition,analytical chemistry,nuclear and high energy physics,biochemistry,spectroscopy,sdg 3 - good health and well-being ,/dk/atira/pure/subjectarea/asjc/1600/1602
Faculty \ School:	Faculty of Science > School of Chemistry, Pharmacy and Pharmacology Faculty of Science > School of Pharmacy (former - to 2024) Faculty of Science
UEA Research Groups:	Faculty of Science > Research Groups > Pharmaceutical Materials and Soft Matter
Related URLs:	http://www.scopus.com/inward/record.url?...
Depositing User:	LivePure Connector
Date Deposited:	15 Oct 2024 16:30
Last Modified:	01 Nov 2024 04:30
URI:	https://ueaeprints.uea.ac.uk/id/eprint/97033
DOI:	10.1016/j.pnmrs.2024.10.002

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