Naslov
Resveratrol hybrids as cholinesterase inhibitors and antioxidants: synthesis, bio-metal chelating capability and computational study

Autori
Mlakić, Milena ; Odak, Ilijana ; Barić, Danijela ; Kovačević, Boris ; Fodor, Lajos ; Horváth, Ottó ; Škorić, Irena

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
28HSKIKI : 28th Croatian Meeting of Chemists and Chemical Engineers and 6th Symposium Vladimir Prelog : Book of Abstracts / Rogošić, Marko - Zagreb : Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2023, 104-104

Skup
28th Croatian Meeting of Chemists and Chemical Engineers and 6th Symposium Vladimir Prelog

Mjesto i datum
Rovinj, Hrvatska, 28.03.2023. - 31.03.2023

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
resveratrol hybrids ; cholinesterase inhibition ; antioxidants ; computational modelling

Sažetak
Enzymes acetyl- (AChE) and butyrylcholinesterase (BChE) are pharmacologically relevant targets in neurodegenerative diseases, and today’s treatment includes cholinesterase inhibitors such as donepezil, galantamine, etc. [1]. As antioxidant trans-resveratrol plays an important role in neurodegenerative disorders such as Alzheimer’s disease, we synthesized resveratrol-thiophene and resveratrol-maltol hybrids and evaluated their antioxidative and inhibitory potential toward cholinesterases [2]. Similar to results obtained by photostability experiments, biological tests also found significant differences in the properties and behavior of thiophene and maltol hybrids. While resveratrol-thiophene hybrids have shown excellent inhibitory and antioxidant properties comparable to the activity of reference drug galantamine, maltols have been proven weaker inhibitors and antioxidants. Structures obtained by molecular docking study showed that thienyl and phenyl present in tested molecules readily participate in - stacking interactions with aromatic residues of the active site of both cholinesterases, resulting in stable ligand-enzyme complexes. The maltols that proved to be active cholinesterase inhibitors were able to coordinate Fe3+ ion, forming complexes of 1:1 composition. In further research, new heterocyclic resveratrol hybrids are synthesized to improve inhibitory and antioxidant activity and complexation with biometals.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA