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

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

Celkové hodnotenie

Vedecká práca
Prevedenie (dizajn)
Diskusná interakcia
PoužívateľVedecká prácaDizajnDiskusná interakcia
RNDr. Lukáš Trizna100%80%-
Bc. Daniela Máčalová100%100%100%
Ing. Štefánia Hrončeková100%100%-
Eduard Jáné100%100%100%
Michal Híreš100%100%-
RNDr. Monika Hudáčová100%60%-
ISBN: ISBN 978-80-972360-7-6

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

Michal Hricovíni1
1Chemický ústav SAV, Bratislava, Slovensko

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.