title: Novel 1-(2-pyrimidin-2-yl)piperazine derivatives as selective monoamine oxidase (MAO)-A inhibitors.
abstract: In the present study, a new series of 2-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl 4-substituted piperazine-1-carbodithioate derivatives (2a-n) were synthesized and screened for their monoamine oxidase A and B inhibitory activity. The structures of compounds were elucidated using spectroscopic methods and some physicochemical properties of new compounds were predicted using Molinspiration and MolSoft programs. Compounds 2-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl 4-(4-nitrophenyl)piperazine-1-carbodithioate (2j) and 2-[4-(pyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl 4-benzhydrylpiperazine-1-carbodithioate (2m) exhibited selective MAO-A inhibitory activity with IC50=23.10, 24.14 µM, respectively. Some of the biological results were found in accordance with the obtained in silico data based on Lipinski's fule of five.
authors.affiliation: a Department of Pharmaceutical Chemistry, Faculty of Pharmacy , Anadolu University , Eskişehir , Turkey.
authors.forename: Betül
authors.initials: B
authors.lastname: Kaya
authors.affiliation: a Department of Pharmaceutical Chemistry, Faculty of Pharmacy , Anadolu University , Eskişehir , Turkey.
authors.forename: Leyla
authors.initials: L
authors.lastname: Yurttaş
authors.affiliation: a Department of Pharmaceutical Chemistry, Faculty of Pharmacy , Anadolu University , Eskişehir , Turkey.|b Doping and Narcotic Compounds Analysis Laboratory, Faculty of Pharmacy , Anadolu University , Eskişehir , Turkey.
authors.forename: Begüm Nurpelin
authors.initials: BN
authors.lastname: Sağlik
authors.affiliation: a Department of Pharmaceutical Chemistry, Faculty of Pharmacy , Anadolu University , Eskişehir , Turkey.|b Doping and Narcotic Compounds Analysis Laboratory, Faculty of Pharmacy , Anadolu University , Eskişehir , Turkey.
authors.forename: Serkan
authors.initials: S
authors.lastname: Levent
authors.affiliation: a Department of Pharmaceutical Chemistry, Faculty of Pharmacy , Anadolu University , Eskişehir , Turkey.|b Doping and Narcotic Compounds Analysis Laboratory, Faculty of Pharmacy , Anadolu University , Eskişehir , Turkey.
authors.forename: Yusuf
authors.initials: Y
authors.lastname: Özkay
authors.affiliation: a Department of Pharmaceutical Chemistry, Faculty of Pharmacy , Anadolu University , Eskişehir , Turkey.
authors.forename: Zafer Asim
authors.initials: ZA
authors.lastname: Kaplancikli
mesh_terms: D007700:Kinetics; D062105:Molecular Docking Simulation; D008995:Monoamine Oxidase / Q000378:metabolism; D008996:Monoamine Oxidase Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D010879:Piperazines / Q000737:chemistry / Q000494:pharmacology*; D013057:Spectrum Analysis / Q000379:methods
chemical_list: D008996:Monoamine Oxidase Inhibitors; D010879:Piperazines; D008995:Monoamine Oxidase
keywords: (2-pyrimidinyl)piperazine; Depression; Lipinski’s rule of five; MolSoft; Molinspiration; monoamine oxidase A