title: Biological evaluation and docking studies of some benzoxazole derivatives as inhibitors of acetylcholinesterase and butyrylcholinesterase.
abstract: A series of 2,5-disubstituted-benzoxazole derivatives (1-13) were evaluated as possible inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The results demonstrated that the compounds exhibited a broad spectrum of AChE and BChE inhibitory activity ranging between 6.80% and 90.21% except one compound which showed no activity against AChE at the specified molar concentration. Another derivative displayed a similar activity to that of reference drug (galanthamine) for inhibition of AChE and BChE. In addition, molecular docking of the compounds into active site of AChE was performed using recombinant human AChE (PDB ID: 4ey6) in order to understand ligand-protein interactions.
authors: Ozlem
authors: O
authors: Temiz-Arpaci
authors: Mustafa
authors: M
authors: Arisoy
authors: Duygu
authors: D
authors: Sac
authors: Fatima
authors: F
authors: Doganc
authors: Meryem
authors: M
authors: Tasci
authors: Fatma Sezer
authors: FS
authors: Senol
authors: Ilkay Erdogan
authors: IE
authors: Orhan
mesh_terms: D000110:Acetylcholinesterase / Q000187:drug effects; D001583:Benzoxazoles / Q000737:chemistry* / Q000494:pharmacology*; D002091:Butyrylcholinesterase / Q000187:drug effects; D020134:Catalytic Domain; D002800:Cholinesterase Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D006801:Humans; D062105:Molecular Docking Simulation
chemical_list: D001583:Benzoxazoles; D002800:Cholinesterase Inhibitors; D000110:Acetylcholinesterase; D002091:Butyrylcholinesterase