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3D Structure of new salicin-type glycoconjugate - NMR and DFT study


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3D Structure of new salicin-type glycoconjugate - NMR and DFT study

Michal Hricovíni 1

1Chemický ústav SAV, Bratislava, Slovensko
chemmike@savba.sk

Glycosides and their derivatives are known for their important biological properties. Phenolic glycosides, such as salicin, belong to most studied glycosides due to their therapeutic effects [1]. Many compounds from this group have been shown to be particularly effective in treatment of pulmonary diseases, arthritis, anti-inflammatory, analgetic and antioxidant activities [2,3]. In order to improve biological activity and efficiency, much effort was exerted to prepare structures possessing salicin or salicin-based moiety combined with heterocyclic arrays. As these structures are rather complex, one can expect that salicin-type glycoconjugates exhibit a multifaceted conformational equilibrium when dissolved in various solvents. Presented analysis deals with 3D structure in solution of new glycoconjugate constituted by two glucopyranoses (Glc) linked via quinazolinone-like structure (Fig. 1) using NMR and DFT calculations.

The author acknowledges financial support from the Slovak Grant Agency VEGA grants No. 2/0022/18 and ITMS 26230120002 supported by the Research & Development Operational Program funded by the ERDF.
[1]   Kim, C. S.; Subedi, L.; Park, et. al. Fitoterapia, 2015, 106, 147–152.    
[2]   Stepanova, E. V.; Belyanin, M. L.; Filimonov, V. D. Carb. Res., 2014, 388, 105–111.
[3]   Palasz, A., et al. Topics Curr. Chem., 2019, 377, 1–84.
 
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