title: Synthesis and herbicidal evaluation of novel benzothiazole derivatives as potential inhibitors of D1 protease.
abstract: D1 protease is a C-terminal processing protease that has been predicted to be an ideal herbicidal target. Three novel series of benzothiazole derivatives were synthesized and evaluated for their herbicidal activities against Brassica napus (rape) and Echinochloa crusgalli (barnyard grass). The preliminary bioassay indicated that most of the synthesized compounds possess promising D1 protease inhibitory activities and considerable herbicidal activities. Molecular docking was performed to position representative compounds into the active site of D1 protease to determine a probable binding model.
authors.affiliation: Jiangsu Key Laboratory of New Drug Research and Clinical Pharmacy, School of Pharmacy, Xuzhou Medical College, Xuzhou, Jiangsu 221004, PR China; Key Laboratory of Pesticide and Chemical Biology of Ministry of Education, Central China Normal University, Wuhan 430079, PR China. Electronic address: tonghhuang@xzmc.edu.cn.
authors.forename: Tonghui
authors.initials: T
authors.lastname: Huang
authors.affiliation: Jiangsu Key Laboratory of New Drug Research and Clinical Pharmacy, School of Pharmacy, Xuzhou Medical College, Xuzhou, Jiangsu 221004, PR China.
authors.forename: Jie
authors.initials: J
authors.lastname: Sun
authors.affiliation: Jiangsu Key Laboratory of New Drug Research and Clinical Pharmacy, School of Pharmacy, Xuzhou Medical College, Xuzhou, Jiangsu 221004, PR China.
authors.forename: Lin
authors.initials: L
authors.lastname: An
authors.affiliation: Jiangsu Key Laboratory of New Drug Research and Clinical Pharmacy, School of Pharmacy, Xuzhou Medical College, Xuzhou, Jiangsu 221004, PR China.
authors.forename: Lixian
authors.initials: L
authors.lastname: Zhang
authors.affiliation: School of Medical Imaging, Xuzhou Medical College, Xuzhou, Jiangsu 221004, PR China.
authors.forename: Cuiping
authors.initials: C
authors.lastname: Han
mesh_terms: D052160:Benzothiazoles / Q000737:chemistry* / Q000494:pharmacology*; D029688:Brassica napus / Q000187:drug effects* / Q000201:enzymology / Q000502:physiology; D031747:Echinochloa / Q000187:drug effects* / Q000201:enzymology / Q000502:physiology; D010450:Endopeptidases / Q000378:metabolism; D006540:Herbicides / Q000737:chemistry* / Q000494:pharmacology*; D062105:Molecular Docking Simulation; D011480:Protease Inhibitors / Q000737:chemistry / Q000494:pharmacology; D058728:Weed Control
chemical_list: D052160:Benzothiazoles; D006540:Herbicides; D011480:Protease Inhibitors; D010450:Endopeptidases
keywords: Benzothiazoles; D1 protease inhibitor; Herbicidal activities; Molecular docking; Synthesis