3D-QSAR and Molecular Docking Studies on the TcPMCA1-Mediated Detoxification of Scopoletin and Coumarin Derivatives.

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作者： Qiu-Li,Hou ^[1] ; Jin-Xiang,Luo ^[2] ; Bing-Chuan,Zhang ^[3] ; Gao-Fei,Jiang ^[4] ; Wei,Ding ^[5] ; Yong-Qiang,Zhang ^[6]

作者单位： Laboratory of Natural Products Pesticides, College of Plant Protection, Southwest University, Chongqing 400715, China. houqiuli2000@126.com. ^[1] Laboratory of Natural Products Pesticides, College of Plant Protection, Southwest University, Chongqing 400715, China. xiangxiangnx@sohu.com. ^[2] Laboratory of Natural Products Pesticides, College of Plant Protection, Southwest University, Chongqing 400715, China. zhbichting@163.com. ^[3] Laboratory of Natural Products Pesticides, College of Plant Protection, Southwest University, Chongqing 400715, China. Gaofei.Jiang@toulouse.inra.fr. ^[4] Laboratory of Natural Products Pesticides, College of Plant Protection, Southwest University, Chongqing 400715, China. dwing818@163.com. ^[5] Laboratory of Natural Products Pesticides, College of Plant Protection, Southwest University, Chongqing 400715, China. zyqiang@swu.edu.cn. ^[6]

关键词 Tetranychus cinnabarinus coumarin derivatives interaction mechanism molecular docking plasma membrane Ca2+-ATPase scopoletin three-dimensional quantitative structure activity relationship (3D-QSAR)