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; Aleš KROUTIL; Renata KUBÍNOVÁ; A. D. GARRO; L. J. GUTIERREZ; D. ENRIZ; M. ORAVEC a Jozef CSÖLLEI

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: 4.412

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14160/20:00116638

Organizační jednotka

Farmaceutická fakulta

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://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 = {https://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://doi.org/10.3390/molecules25071751.

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