SwePub - search: WFRF:(Azurmendi Hugo F.)

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1.	Kwon, Jeahoo, et al. (author) Glycan Stability and Flexibility : Thermodynamic and Kinetic Characterization of Nonconventional Hydrogen Bonding in Lewis Antigens 2023 In: Journal of the American Chemical Society. - 0002-7863 .- 1520-5126. ; 145:18, s. 10022-10034 Journal article (peer-reviewed)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 ∼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.

Kwon, Jeahoo, et al. (author)
Glycan Stability and Flexibility : Thermodynamic and Kinetic Characterization of Nonconventional Hydrogen Bonding in Lewis Antigens
2023
In: Journal of the American Chemical Society. - 0002-7863 .- 1520-5126. ; 145:18, s. 10022-10034
Journal article (peer-reviewed)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 ∼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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