| PADRTOVA, Tereza, Pavlina MARVANOVA, Klara ODEHNALOVA, Renata KUBINOVA, Oscar PARRAVICINI, Adriana GARRO, Ricardo D ENRIZ, Otakar HUMPA, Michal ORAVEC and Petr MOKRY. Synthesis, Analysis, Cholinesterase-Inhibiting Activity and Molecular Modelling Studies of 3-(Dialkylamino)-2-hydroxypropyl 4-[(Alkoxy-carbonyl)amino]benzoates and Their Quaternary Ammonium Salts. Molecules. Mayer und Muller, 2017, vol. 22, No 12, p. 2048-2068. ISSN 1420-3049. Available from: https://dx.doi.org/10.3390/molecules22122048. |
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@article{1409296,
author = {Padrtova, Tereza and Marvanova, Pavlina and Odehnalova, Klara and Kubinova, Renata and Parravicini, Oscar and Garro, Adriana and Enriz, Ricardo D and Humpa, Otakar and Oravec, Michal and Mokry, Petr},
article_number = {12},
doi = {http://dx.doi.org/10.3390/molecules22122048},
keywords = {arylcarbonyloxyaminopropanols; tertiary amines; quaternary ammonium salts; acetylcholinesterase; butyrylcholinesterase},
language = {eng},
issn = {1420-3049},
journal = {Molecules},
title = {Synthesis, Analysis, Cholinesterase-Inhibiting Activity and Molecular Modelling Studies of 3-(Dialkylamino)-2-hydroxypropyl 4-[(Alkoxy-carbonyl)amino]benzoates and Their Quaternary Ammonium Salts},
url = {http://www.mdpi.com/1420-3049/22/12/2048},
volume = {22},
year = {2017}
}
TY - JOUR
ID - 1409296
AU - Padrtova, Tereza - Marvanova, Pavlina - Odehnalova, Klara - Kubinova, Renata - Parravicini, Oscar - Garro, Adriana - Enriz, Ricardo D - Humpa, Otakar - Oravec, Michal - Mokry, Petr
PY - 2017
TI - Synthesis, Analysis, Cholinesterase-Inhibiting Activity and Molecular Modelling Studies of 3-(Dialkylamino)-2-hydroxypropyl 4-[(Alkoxy-carbonyl)amino]benzoates and Their Quaternary Ammonium Salts
JF - Molecules
VL - 22
IS - 12
SP - 2048
EP - 2048
PB - Mayer und Muller
SN - 14203049
KW - arylcarbonyloxyaminopropanols
KW - tertiary amines
KW - quaternary ammonium salts
KW - acetylcholinesterase
KW - butyrylcholinesterase
UR - http://www.mdpi.com/1420-3049/22/12/2048
L2 - http://www.mdpi.com/1420-3049/22/12/2048
N2 - Tertiary amines 3-(dialkylamino)-2-hydroxypropyl 4-[(alkoxycarbonyl)amino]benzoates and their quaternary ammonium salts were synthesized. The final step of synthesis of quaternary ammonium salts was carried out by microwave-assisted synthesis. Software-calculated data provided the background needed to compare fifteen new resulting compounds by their physicochemical properties. The acid dissociation constant (pKa) and lipophilicity index (log P) of tertiary amines were determined; while quaternary ammonium salts were characterized by software-calculated lipophilicity index and surface tension. Biological evaluation aimed at testing acetylcholinesterase and butyrylcholinesterase-inhibiting activity of synthesized compounds. A possible mechanism of action of these compounds was determined by molecular modelling study using combined techniques of docking; molecular dynamics simulations and quantum mechanics calculations
ER -
PADRTOVA, Tereza, Pavlina MARVANOVA, Klara ODEHNALOVA, Renata KUBINOVA, Oscar PARRAVICINI, Adriana GARRO, Ricardo D ENRIZ, Otakar HUMPA, Michal ORAVEC and Petr MOKRY. Synthesis, Analysis, Cholinesterase-Inhibiting Activity and Molecular Modelling Studies of 3-(Dialkylamino)-2-hydroxypropyl 4-[(Alkoxy-carbonyl)amino]benzoates and Their Quaternary Ammonium Salts. \textit{Molecules}. Mayer und Muller, 2017, vol.~22, No~12, p.~2048-2068. ISSN~1420-3049. Available from: https://dx.doi.org/10.3390/molecules22122048.
|
