| HUDCOVÁ, Anna, Aleš KROUTIL, Renata KUBÍNOVÁ, A. D. GARRO, L. J. GUTIERREZ, D. ENRIZ, M. ORAVEC a Jozef CSÖLLEI. Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation. Molecules. 2020, roč. 25, č. 7, s. 1751-1767. ISSN 1420-3049. Dostupné z: https://dx.doi.org/10.3390/molecules25071751. |
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@article{1684749,
author = {Hudcová, Anna and Kroutil, Aleš and Kubínová, Renata and Garro, A. D. and Gutierrez, L. J. and Enriz, D. and Oravec, M. and Csöllei, Jozef},
article_number = {7},
doi = {http://dx.doi.org/10.3390/molecules25071751},
keywords = {arylaminopropanone; N-phenylcarbamate; acetylcholinesterase; butyrylcholinesterase; enzyme assays; molecular modelling},
language = {eng},
issn = {1420-3049},
journal = {Molecules},
title = {Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation},
url = {https://www.mdpi.com/1420-3049/25/7/1751},
volume = {25},
year = {2020}
}
TY - JOUR
ID - 1684749
AU - Hudcová, Anna - Kroutil, Aleš - Kubínová, Renata - Garro, A. D. - Gutierrez, L. J. - Enriz, D. - Oravec, M. - Csöllei, Jozef
PY - 2020
TI - Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation
JF - Molecules
VL - 25
IS - 7
SP - 1751
EP - 1751
SN - 14203049
KW - arylaminopropanone
KW - N-phenylcarbamate
KW - acetylcholinesterase
KW - butyrylcholinesterase
KW - enzyme assays
KW - molecular modelling
UR - https://www.mdpi.com/1420-3049/25/7/1751
L2 - https://www.mdpi.com/1420-3049/25/7/1751
N2 - 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.
ER -
HUDCOVÁ, Anna, Aleš KROUTIL, Renata KUBÍNOVÁ, A. D. GARRO, L. J. GUTIERREZ, D. ENRIZ, M. ORAVEC a Jozef CSÖLLEI. Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation. \textit{Molecules}. 2020, roč.~25, č.~7, s.~1751-1767. ISSN~1420-3049. Dostupné z: https://dx.doi.org/10.3390/molecules25071751.
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