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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F86652079%3A_____%2F20%3A00524494" target="_blank" >RIV/86652079:_____/20:00524494 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216224:14160/20:00116638 RIV/62157124:16370/20:43878575

Výsledek na webu

<a href="https://www.mdpi.com/1420-3049/25/7/1751" target="_blank" >https://www.mdpi.com/1420-3049/25/7/1751</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/molecules25071751" target="_blank" >10.3390/molecules25071751</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

30104 - Pharmacology and pharmacy

Projekt

<a href="/cs/project/LM2018123" target="_blank" >LM2018123: CzeCOS</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Molecules

ISSN

1420-3049

e-ISSN

1420-3049

Svazek periodika

25

Číslo periodika v rámci svazku

7

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

17

Strana od-do

molecules25071751

Kód UT WoS článku

000531833400276

EID výsledku v databázi Scopus

2-s2.0-85083258400