HUDCOVÁ, Anna, Aleš KROUTIL, Renata KUBÍNOVÁ, A. D. GARRO, L. J. GUTIERREZ, D. ENRIZ, M. ORAVEC and Jozef CSÖLLEI. Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation. Molecules. 2020, vol. 25, No 7, p. 1751-1767. ISSN 1420-3049. Available from: https://dx.doi.org/10.3390/molecules25071751.
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Basic information
Original name Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation
Name in Czech Deriváty arylaminopropanonu jako potenciální inhibitory cholinesteráz: syntéza, dokovací studie a biologické hodnocení
Authors HUDCOVÁ, Anna (203 Czech Republic, belonging to the institution), Aleš KROUTIL (203 Czech Republic, guarantor, belonging to the institution), Renata KUBÍNOVÁ (203 Czech Republic, belonging to the institution), A. D. GARRO (32 Argentina), L. J. GUTIERREZ, D. ENRIZ, M. ORAVEC (203 Czech Republic) and Jozef CSÖLLEI (203 Czech Republic, belonging to the institution).
Edition Molecules, 2020, 1420-3049.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 30104 Pharmacology and pharmacy
Country of publisher Switzerland
Confidentiality degree is not subject to a state or trade secret
WWW URL
Impact factor Impact factor: 4.411
RIV identification code RIV/00216224:14160/20:00116638
Organization unit Faculty of Pharmacy
Doi http://dx.doi.org/10.3390/molecules25071751
UT WoS 000531833400276
Keywords in English arylaminopropanone; N-phenylcarbamate; acetylcholinesterase; butyrylcholinesterase; enzyme assays; molecular modelling
Tags rivok, ÚChL, ÚPL
Tags Reviewed
Changed by Changed by: Mgr. Hana Hurtová, učo 244985. Changed: 29/3/2021 15:37.
Abstract
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.
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