title: Alkyl 2-arylhydrazinylidene-3-oxo-3-polyfluoroalkylpropionates as new effective and selective inhibitors of carboxylesterase.
abstract: A series of alkyl 2-Arylhydrazinylidene-3-oxo-3-polyfluoroalkylpropionates was synthesized and their inhibitory activity with respect to porcine liver carboxylesterase (CaE, EC 3.1.1.1), human erythrocyte acetylcholinesterase (AChE, EC 3.1.1.7), and horse serum butyrylcholinesterase (BChE, EC 3.1.1.8) was studied. The molecular docking method was used to study the binding mode of the compounds in the active site of CaE. It was found that compounds containing the trifluoromethyl group in the third position of carbonyl chain are highly effective and selective inhibitors of CaE with nanomolar IC50 values, which agrees well with the results of molecular docking.
authors.affiliation: Institute of Physiologically Active Compounds, Russian Academy of Sciences, Severnyi proezd 1, Chernogolovka, Moscow oblast, 142432, Russia. boltneva@ipac.ac.ru.
authors.forename: N P
authors.initials: NP
authors.lastname: Boltneva
authors.affiliation: Institute of Physiologically Active Compounds, Russian Academy of Sciences, Severnyi proezd 1, Chernogolovka, Moscow oblast, 142432, Russia.
authors.forename: G F
authors.initials: GF
authors.lastname: Makhaeva
authors.affiliation: Institute of Physiologically Active Compounds, Russian Academy of Sciences, Severnyi proezd 1, Chernogolovka, Moscow oblast, 142432, Russia.
authors.forename: N V
authors.initials: NV
authors.lastname: Kovaleva
authors.affiliation: Institute of Physiologically Active Compounds, Russian Academy of Sciences, Severnyi proezd 1, Chernogolovka, Moscow oblast, 142432, Russia.
authors.forename: S V
authors.initials: SV
authors.lastname: Lushchekina
authors.affiliation: Postovskii Institute of Organic Synthesis, Urals Branch, Russian Academy of Sciences, Yekaterinburg, Russia.
authors.forename: Ya V
authors.initials: YV
authors.lastname: Burgart
authors.affiliation: Postovskii Institute of Organic Synthesis, Urals Branch, Russian Academy of Sciences, Yekaterinburg, Russia.
authors.forename: E V
authors.initials: EV
authors.lastname: Shchegol'kov
authors.affiliation: Postovskii Institute of Organic Synthesis, Urals Branch, Russian Academy of Sciences, Yekaterinburg, Russia.
authors.forename: V I
authors.initials: VI
authors.lastname: Saloutin
authors.affiliation: Postovskii Institute of Organic Synthesis, Urals Branch, Russian Academy of Sciences, Yekaterinburg, Russia.
authors.forename: O N
authors.initials: ON
authors.lastname: Chupakhin
mesh_terms: D000818:Animals; D002800:Cholinesterase Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D002802:Cholinesterases / Q000737:chemistry* / Q000378:metabolism; D006736:Horses; D006801:Humans; D006835:Hydrazones / Q000737:chemistry / Q000494:pharmacology*; D062105:Molecular Docking Simulation; D011422:Propionates / Q000737:chemistry / Q000494:pharmacology*; D013552:Swine
chemical_list: D002800:Cholinesterase Inhibitors; D006835:Hydrazones; D011422:Propionates; D002802:Cholinesterases