| Publons ID | (not set) |
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| Wos ID | WOS:000981760800001 |
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| Doi | 10.1021/jacs.2c13104 |
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| Title | Glycan Stability and Flexibility: Thermodynamic and Kinetic Characterization of Nonconventional Hydrogen Bonding in Lewis Antigens |
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| First Author | |
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| Last Author | |
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| Authors | Kwon, J; Ruda, A; Azurmendi, HF; Zarb, J; Battistel, MD; Liao, L; Asnani, A; Auzanneau, FI; Widmalm, G; Freedberg, DI; |
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| Publish Date | MAY 10 2023 |
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| Journal Name | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY |
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| Citation | 14 |
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| Abstract | We provide evidence for CH-based nonconventional hydrogen bonds (H-bonds) for 10 Lewis antigens and two of their rhamnose analogues. We also characterize the thermodynamics and kinetics of the H-bonds in these molecules and present a plausible explanation for the presence of nonconventional H-bonds in Lewis antigens. Using an alternative method to simultaneously fit a series of temperature-dependent fast exchange nuclear magnetic resonance (NMR) spectra, we determined that the H-bonded conformation is favored by similar to 1 kcal/mol over the non-H-bonded conformation. Additionally, a comparison of temperature-dependent 13C linewidths in various Lewis antigens and the two rhamnose analogues reveals H-bonds between the carbonyl oxygen of the N-acetyl group of N-acetylglucosamine and the OH2 group of galactose/fucose. The data presented herein provide insight into the contribution of nonconventional H-bonding to molecular structure and could therefore be used for the rational design of therapeutics. |
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| Publish Type | Journal |
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| Publish Year | 2023 |
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| Page Begin | 10022 |
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| Page End | 10034 |
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| Issn | 0002-7863 |
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| Eissn | 1520-5126 |
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| Url | https://www.webofscience.com/wos/woscc/full-record/WOS:000981760800001 |
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| Author | ARI ASNANI, S.Si, M.Sc., Ph.D |
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| File | 165047.pdf |
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