Arylaminopropanone Derivatives as Potential Cholinesterase
Inhibitors: Synthesis, Docking Study and Biological Evaluation

J 2020

Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation

HUDCOVÁ, Anna, Aleš KROUTIL, Renata KUBÍNOVÁ, A. D. GARRO, L. J. GUTIERREZ et. al.

Základní údaje

Originální název

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

Autoři

HUDCOVÁ, Anna (203 Česká republika, domácí), Aleš KROUTIL (203 Česká republika, garant, domácí), Renata KUBÍNOVÁ (203 Česká republika, domácí), A. D. GARRO (32 Argentina), L. J. GUTIERREZ, D. ENRIZ, M. ORAVEC (203 Česká republika) a Jozef CSÖLLEI (203 Česká republika, domácí)

Vydání

Molecules, 2020, 1420-3049

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

30104 Pharmacology and pharmacy

Stát vydavatele

Švýcarsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 4.411

Kód RIV

RIV/00216224:14160/20:00116638

Organizační jednotka

Farmaceutická fakulta

DOI

http://dx.doi.org/10.3390/molecules25071751

UT WoS

000531833400276

Klíčová slova anglicky

arylaminopropanone; N-phenylcarbamate; acetylcholinesterase; butyrylcholinesterase; enzyme assays; molecular modelling

Štítky

rivok, ÚChL, ÚPL

Příznaky

Recenzováno

Změněno: 29. 3. 2021 15:37, Mgr. Hana Hurtová

Anotace

V originále

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.

Citovat

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.

@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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