Decoding glycans: deciphering the sugary secrets to be coherent on the implication

Sharma, Shreya; Shekhar, Shashank; Bk, Sharma; Jain, Purnima

doi:10.1039/d0ra04471g

Cited by 6 publications

(7 citation statements)

References 87 publications

(112 reference statements)

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“…Our analysis shows that bond cleavage of axial and equatorial ligands can vary within a few kcal/mol in binding energy. The quantum chemical DFT data may contribute to a better understanding of the function relationship of integrin ligand complexes including the role of integrins in tissue repair, glycobiology and neurooncology ( Racine-Samson et al, 1997 ; Gabius et al, 2004 ; André et al, 2005 ; Bhunia et al, 2010 ; Petridis et al, 2011 ; Stötzel et al, 2012 ; Tsvetkov et al, 2012 ; Kanakis et al, 2013 ; Glinskii et al, 2014 ; Hussein et al, 2015 ; Zhang et al, 2016a ; Cornelissen and Van Vliet, 2016 ; Malric et al, 2017 ; Marsico et al, 2018 ; Martinez-Olivera et al, 2018 ; McCarthy et al, 2018 ; Sharma et al, 2020 ; Eckert et al, 2021 ). The polysialylated neural cell adhesion molecule (NCAM) as well as the sulfated HNK-1 epitope are together with β1-integrin involved in cell differentiation processes.…”

Section: Discussionmentioning

confidence: 99%

“…A detailed understanding of integrin–ligand interactions requires that the impact of ligand structures is considered ( Racine-Samson et al, 1997 ; Gabius et al, 2004 ; Petridis et al, 2011 ; Glinskii et al, 2014 ; Hussein et al, 2015 ; Cornelissen and Van Vliet, 2016 ; Marsico et al, 2018 ; Sharma et al, 2020 ; Eckert et al, 2021 ). The corresponding data are necessary to understand cellular mechanisms in neuroblastoma and in glioblastoma cells ( Hemler, 1990 ; André et al, 2005 ; Bhunia et al, 2010 ; Petridis et al, 2011 ; Stötzel et al, 2012 ; Tsvetkov et al, 2012 ; Kanakis et al, 2013 ; Zhang et al, 2016a ; Malric et al, 2017 ; Martinez-Olivera et al, 2018 ; McCarthy et al, 2018 ; Van Agthoven et al, 2019 ).…”

Section: Introductionmentioning

confidence: 99%

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Evidence for Quantum Chemical Effects in Receptor-Ligand Binding Between Integrin and Collagen Fragments — A Computational Investigation With an Impact on Tissue Repair, Neurooncolgy and Glycobiology

Eckert

Cosel

Kamps

et al. 2021

Front. Mol. Biosci.

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The collagen-integrin interactions are mediated by the doubly charged Mg2+ cation. In nature this cation seems to have the optimal binding strength to stabilize this complex. It is essential that the binding is not too weak so that the complex becomes unstable, however, it is also of importance that the ligand-receptor binding is still labile enough so that the ligand can separate from the receptor in a suited environment. In the case of crystal growing for experimentally useful integrin-collagen fragment complexes it turned out that Co2+ cations are ideal mediators to form stable complexes for such experiments. Although, one can argue that Co2+ is in this context an artificial cation, however, it is now of special interest to test the impact of this cation in cell-culture experiments focusing on integrin-ligand interactions. In order to examine, in particular, the role cobalt ions we have studied a Co2+ based model system using quantum chemical calculations. Thereby, we have shown that hybrid and long-range corrected functional, which are approximations provide already a sufficient level of accuracy. It is of interest to study a potential impact of cations on the binding of collagen-fragments including collagens from various species because different integrins have numerous biological functions (e.g. Integrin – NCAM (Neural cell adhesion molecule) interactions) and are triggered by intact and degraded collagen fragments. Since integrin–carbohydrate interactions play a key role when bio-medical problems such as tumor cell adhesion and virus-host cell infections have to be addressed on a sub-molecular level it is essential to understand the interactions with heavy-metal ions also at the sub-atomic level. Our findings open new routes, especially, in the fields of tissue repair and neuro-oncology for example for cell-culture experiments with different ions. Since Co2+ ions seem to bind stronger to integrin than Mg2+ ions it should be feasible to exchange these cations in suited tumor tissues although different cations are present in other metalloproteins which are active in such tissues. Various staining methods can be applied to document the interactions of integrins with carbohydrate chains and other target structures. Thereby, it is possible to study a potential impact of these interactions on biological functions. It was therefore necessary to figure out first which histological–glycobiological experimental settings of tumor cells are suited for our purpose. Since the interactions of several metalloproteins (integrin, ADAM12) with polysialic acid and the HNK-1 epitope play a crucial role in tumor tissues selected staining methods are proper tools to obtain essential information about the impact of the metal ions under study.

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Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Evidence for Quantum Chemical Effects in Receptor-Ligand Binding Between Integrin and Collagen Fragments — A Computational Investigation With an Impact on Tissue Repair, Neurooncolgy and Glycobiology

Eckert

Cosel

Kamps

et al. 2021

Front. Mol. Biosci.

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“…In the context of infectious diseases, many pathogenic microorganisms attach onto the surface of host cells through carbohydrate–protein interactions between cell-surface glycans and adhesins or agglutinins. Bacteria, viruses, and fungi express onto their surface a vast number of glycan-binding proteins, which are also known as lectins [ 84 , 85 , 86 ].…”

Section: Microbial Targeting Strategiesmentioning

confidence: 99%

Polymeric Nanoparticles for Antimicrobial Therapies: An up-to-date Overview

et al. 2021

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Despite the many advancements in the pharmaceutical and medical fields and the development of numerous antimicrobial drugs aimed to suppress and destroy pathogenic microorganisms, infectious diseases still represent a major health threat affecting millions of lives daily. In addition to the limitations of antimicrobial drugs associated with low transportation rate, water solubility, oral bioavailability and stability, inefficient drug targeting, considerable toxicity, and limited patient compliance, the major cause for their inefficiency is the antimicrobial resistance of microorganisms. In this context, the risk of a pre-antibiotic era is a real possibility. For this reason, the research focus has shifted toward the discovery and development of novel and alternative antimicrobial agents that could overcome the challenges associated with conventional drugs. Nanotechnology is a possible alternative, as there is significant evidence of the broad-spectrum antimicrobial activity of nanomaterials and nanoparticles in particular. Moreover, owing to their considerable advantages regarding their efficient cargo dissolving, entrapment, encapsulation, or surface attachment, the possibility of forming antimicrobial groups for specific targeting and destruction, biocompatibility and biodegradability, low toxicity, and synergistic therapy, polymeric nanoparticles have received considerable attention as potential antimicrobial drug delivery agents. In this context, the aim of this paper is to provide an up-to-date overview of the most recent studies investigating polymeric nanoparticles designed for antimicrobial therapies, describing both their targeting strategies and their effects.

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“…These unique properties have generated strong interest in the search for glycan-based therapeutics. 7 In particular, outstanding developments include vaccines against bacterial infections. 8 Over the past decades, the strategy was investigated in the context of shigellosis.…”

Section: ■ Introductionmentioning

confidence: 99%

Combination of High-Resolution Multistage Ion Mobility and Tandem MS with High Energy of Activation to Resolve the Structure of Complex Chemoenzymatically Synthesized Glycans

et al. 2022

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Carbohydrates, in particular microbial glycans, are highly structurally diverse biomolecules, the recognition of which governs numerous biological processes. Of special interest, glycans of known monosaccharide composition feature multiple possible isomers, differentiated by the anomerism and position of their glycosidic linkages. Robust analytical tools able to circumvent this extreme structural complexity are increasing in demand to ensure not only the correct determination of naturally occurring glycans but also to support the rapid development of enzymatic and chemoenzymatic glycan synthesis. In support to the later, we report the use of complementary strategies based on mass spectrometry (MS) to evaluate the ability of 14 engineered mutants of sucrose-utilizing α-transglucosylases to produce type/group-specific Shigella flexneri pentasaccharide bricks from a single lightly protected non-natural tetrasaccharide acceptor substrate. A first analysis of the reaction media by UHPLC coupled to high-accuracy MS led to detect six reaction products of enzymatic glucosylation out of the eight possible ones. A seventh structure was evidenced by an additional step of ion mobility at a resolving power (R p) of approximately 100. Finally, a R p of about 250 in ion mobility made it possible to detect the eighth and last of the expected structures. Complementary to these measurements, tandem MS with high activation energy charge transfer dissociation (CTD) allowed us to unambiguously characterize seven regioisomers out of the eight possible products of enzymatic glucosylation. This work illustrates the potential of the recently described powerful IMS and CTD–MS methods for the precise structural characterization of complex glycans.

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Decoding glycans: deciphering the sugary secrets to be coherent on the implication

Abstract: A glycan toolbox for pathogenic and cancerous interventions. The review article sheds light on the sweet secrets of this complex structure.

Cited by 6 publications

References 87 publications

Evidence for Quantum Chemical Effects in Receptor-Ligand Binding Between Integrin and Collagen Fragments — A Computational Investigation With an Impact on Tissue Repair, Neurooncolgy and Glycobiology

Evidence for Quantum Chemical Effects in Receptor-Ligand Binding Between Integrin and Collagen Fragments — A Computational Investigation With an Impact on Tissue Repair, Neurooncolgy and Glycobiology

Polymeric Nanoparticles for Antimicrobial Therapies: An up-to-date Overview

Combination of High-Resolution Multistage Ion Mobility and Tandem MS with High Energy of Activation to Resolve the Structure of Complex Chemoenzymatically Synthesized Glycans

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