Publication details
Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation
| Authors | |
|---|---|
| Year of publication | 2020 |
| Type | Article in Periodical |
| Magazine / Source | Molecules |
| MU Faculty or unit | |
| Citation | |
| Web | https://www.mdpi.com/1420-3049/25/7/1751 |
| Doi | http://dx.doi.org/10.3390/molecules25071751 |
| Keywords | arylaminopropanone; N-phenylcarbamate; acetylcholinesterase; butyrylcholinesterase; enzyme assays; molecular modelling |
| Description | 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. |