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

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

The carmine spider mite, Tetranychus cinnabarinus (Boisduval), is an economically important agricultural pest that is difficult to prevent and control. Scopoletin is a botanical coumarin derivative that targets Ca2+-ATPase to exert a strong acaricidal effect on carmine spider mites. In this study, t...

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Bibliographic Details
Main Authors: Qiu-Li Hou, Jin-Xiang Luo, Bing-Chuan Zhang, Gao-Fei Jiang, Wei Ding, Yong-Qiang Zhang
Format: Article
Language:English
Published: MDPI AG 2017-06-01
Series:International Journal of Molecular Sciences
Subjects:
Tetranychus cinnabarinus
plasma membrane Ca2+-ATPase
scopoletin
coumarin derivatives
molecular docking
three-dimensional quantitative structure activity relationship (3D-QSAR)
interaction mechanism
Online Access:http://www.mdpi.com/1422-0067/18/7/1380

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http://www.mdpi.com/1422-0067/18/7/1380

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