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dc.contributor.author
Padrtova, Tereza
dc.contributor.author
Marvanova, Pavlina
dc.contributor.author
Odehnalova, Klara
dc.contributor.author
Kubinova, Renata
dc.contributor.author
Parravicini, Oscar
dc.contributor.author
Garro, Adriana
dc.contributor.author
Enriz, Ricardo Daniel
dc.contributor.author
Humpa, Otakar
dc.contributor.author
Oravec, Michal
dc.contributor.author
Mokry, Petr
dc.date.available
2019-01-02T18:44:46Z
dc.date.issued
2017-12
dc.identifier.citation
Padrtova, Tereza; Marvanova, Pavlina; Odehnalova, Klara; Kubinova, Renata; Parravicini, Oscar; et al.; Synthesis, analysis, cholinesterase-inhibiting activity and molecular modelling studies of 3-(dialkylamino)-2-hydroxypropyl 4-[(alkoxy-carbonyl)amino]benzoates and their quaternary ammonium salts; Molecular Diversity Preservation International; Molecules; 22; 12; 12-2017; 1-21
dc.identifier.issn
1420-3049
dc.identifier.uri
http://hdl.handle.net/11336/67221
dc.description.abstract
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.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Molecular Diversity Preservation International
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Acetylcholinesterase
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Arylcarbonyloxyaminopropanols
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Butyrylcholinesterase
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Quaternary Ammonium Salts
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Tertiary Amines
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Otras Ciencias Químicas
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.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
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-10-23T17:42:00Z
dc.journal.volume
22
dc.journal.number
12
dc.journal.pagination
1-21
dc.journal.pais
Suiza
dc.journal.ciudad
Basilea
dc.description.fil
Fil: Padrtova, Tereza. University of Veterinary and Pharmaceutical Sciences Brno
; República Checa
dc.description.fil
Fil: Marvanova, Pavlina. University of Veterinary and Pharmaceutical Sciences Brno
; República Checa
dc.description.fil
Fil: Odehnalova, Klara. University of Veterinary and Pharmaceutical Sciences Brno
; República Checa
dc.description.fil
Fil: Kubinova, Renata. University of Veterinary and Pharmaceutical Sciences Brno
; República Checa
dc.description.fil
Fil: Parravicini, Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina
dc.description.fil
Fil: Garro, Adriana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina
dc.description.fil
Fil: Enriz, Ricardo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina
dc.description.fil
Fil: Humpa, Otakar. Masaryk University; República Checa
dc.description.fil
Fil: Oravec, Michal. Global Change Research Institute CAS; República Checa
dc.description.fil
Fil: Mokry, Petr. University of Veterinary and Pharmaceutical Sciences Brno
; República Checa
dc.journal.title
Molecules
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.3390/molecules22122048
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.mdpi.com/1420-3049/22/12/2048
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