info:eu-repo/semantics/article
Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation
Fecha
2020-04Registro en:
Hudcová, Anna; Kroutil, Ales; Kubínová, Renata; Garro, Adriana; Gutierrez, Lucas Joel; et al.; Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation; Molecular Diversity Preservation International; Molecules; 25; 7; 4-2020; 1-17
1420-3049
CONICET Digital
CONICET
Autor
Hudcová, Anna
Kroutil, Ales
Kubínová, Renata
Garro, Adriana
Gutierrez, Lucas Joel
Enriz, Ricardo Daniel
Oravec, Michal
Csöllei, Jozef
Resumen
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.