Arylaminopropanone derivatives as potential cholinesterase inhibitors: Synthesis, docking study and biological evaluation

0524494 - ÚVGZ 2021 RIV CH eng J - Článek v odborném periodiku
Hudcová, A. - Kroutil, A. - Kubínová, R. - Garro, A. D. - Gutierrez, L. J. - Enriz, D. - Oravec, Michal - Csöllei, J.
Arylaminopropanone derivatives as potential cholinesterase inhibitors: Synthesis, docking study and biological evaluation.
Molecules. Roč. 25, č. 7 (2020), č. článku molecules25071751. E-ISSN 1420-3049
Grant CEP: GA MŠMT(CZ) LM2018123
Výzkumná infrastruktura: CzeCOS III - 90123
Institucionální podpora: RVO:86652079
Klíčová slova: Acetylcholinesterase * Arylaminopropanone * Butyrylcholinesterase * Enzyme assays * Molecular modelling * N-phenylcarbamate
Obor OECD: Pharmacology and pharmacy
Impakt faktor: 4.412, rok: 2020
Způsob publikování: Open access
https://www.mdpi.com/1420-3049/25/7/1751

Neurodegenerative diseases in which the decrease of the acetylcholine is observed are growing worldwide. In the present study, a series of new arylaminopropanone derivatives with N-phenylcarbamate moiety (1-16) were prepared as potential acetylcholinesterase and butyrylcholinesterase inhibitors. In vitro enzyme assays were performed, the results are expressed as a percentage of inhibition and the IC50 values. The inhibitory activities were compared with reference drugs galantamine and rivastigmine showing piperidine derivatives (1-3) as the most potent. A possible mechanism of action for these compounds was determined from a molecular modelling study by using combined techniques of docking, molecular dynamics simulations and quantum mechanics calculations.
Trvalý link: http://hdl.handle.net/11104/0308848