Informace o publikaci
Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation
| Název česky | Deriváty arylaminopropanonu jako potenciální inhibitory cholinesteráz: syntéza, dokovací studie a biologické hodnocení |
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| Autoři | |
| Rok publikování | 2020 |
| Druh | Článek v odborném periodiku |
| Časopis / Zdroj | Molecules |
| Fakulta / Pracoviště MU | |
| Citace | |
| www | https://www.mdpi.com/1420-3049/25/7/1751 |
| Doi | http://dx.doi.org/10.3390/molecules25071751 |
| Klíčová slova | arylaminopropanone; N-phenylcarbamate; acetylcholinesterase; butyrylcholinesterase; enzyme assays; molecular modelling |
| Popis | 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. |