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

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

Year:
2021

Overall rating

Scientific work
100%
Design
90%
Discussion interaction
100%
UserScientific workDesignDiscussion interaction
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
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.

Thanks: 

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.

Sources: 

[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.
 

Discussion