title: Insights into the binding mode of new N-substituted pyrazoline derivatives to MAO-A: docking and quantum chemical calculations.
abstract: The binding modes of four N-substituted pyrazoline derivatives as novel MAO-A inhibitory agents were investigated using docking and quantum chemical molecular modelling tools.
authors.affiliation: Department of Chemistry, Faculty of Arts and Sciences, Marmara University, 34722 Göztepe, Istanbul, Turkey. erdem@marmara.edu.tr
authors.forename: Safiye Sağ
authors.initials: SS
authors.lastname: Erdem
authors.forename: Seyhan
authors.initials: S
authors.lastname: Türkkan
authors.forename: Kemal
authors.initials: K
authors.lastname: Yelekçi
authors.forename: Nesrin
authors.initials: N
authors.lastname: Gökhan-Kelekçi
mesh_terms: D000818:Animals; D001665:Binding Sites / Q000187:drug effects*; D006801:Humans; D008958:Models, Molecular; D008995:Monoamine Oxidase / Q000737:chemistry / Q000378:metabolism; D008996:Monoamine Oxidase Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D011720:Pyrazoles / Q000494:pharmacology*; D013329:Structure-Activity Relationship
chemical_list: D008996:Monoamine Oxidase Inhibitors; D011720:Pyrazoles; D008995:Monoamine Oxidase