title: Preparation, antibacterial evaluation and preliminary structure-activity relationship (SAR) study of benzothiazol- and benzoxazol-2-amine derivatives.
abstract: In this study, a novel benzothiazol- and benzooxazol-2-amine scaffold with antibacterial activity was designed and synthesized. Preliminary structure-activity relationship analysis displayed that compound 8t with a 5,6-difluorosubstituted benzothiazole was found to be a potent inhibitor of Gram-positive pathogens, and exhibited some potential against drug-resistant bacteria and without cytotoxicity in therapeutic concentrations. In addition, molecular docking studies indicated that Staphylococcus aureus methionyl-tRNA synthetase might be the possible target of these compounds. Taken together, the present study provides an effective entry to the synthesis of a good lead for subsequent optimization and a new small molecule candidate drug for antibacterial therapeutics.
authors.affiliation: State Key Laboratory of Biotherapy, West China Hospital, Sichuan University, Chengdu 610041, PR China. ouyangliang@scu.edu.cn
authors.forename: Liang
authors.initials: L
authors.lastname: Ouyang
authors.forename: Yuhui
authors.initials: Y
authors.lastname: Huang
authors.forename: Yuwei
authors.initials: Y
authors.lastname: Zhao
authors.forename: Gu
authors.initials: G
authors.lastname: He
authors.forename: Yongmei
authors.initials: Y
authors.lastname: Xie
authors.forename: Jie
authors.initials: J
authors.lastname: Liu
authors.forename: Jun
authors.initials: J
authors.lastname: He
authors.forename: Bo
authors.initials: B
authors.lastname: Liu
authors.forename: Yuquan
authors.initials: Y
authors.lastname: Wei
mesh_terms: D000588:Amines / Q000138:chemical synthesis / Q000494:pharmacology; D000900:Anti-Bacterial Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D052160:Benzothiazoles / Q000138:chemical synthesis* / Q000494:pharmacology; D001583:Benzoxazoles / Q000138:chemical synthesis* / Q000494:pharmacology; D008718:Methionine-tRNA Ligase / Q000187:drug effects; D008826:Microbial Sensitivity Tests; D013211:Staphylococcus aureus / Q000187:drug effects / Q000201:enzymology; D013329:Structure-Activity Relationship
chemical_list: D000588:Amines; D000900:Anti-Bacterial Agents; D052160:Benzothiazoles; D001583:Benzoxazoles; D008718:Methionine-tRNA Ligase