Mechanism-Based Quantitative Structure-Activity Relationships on Toxicity of Selected Herbicides to Chlorella vulgaris and Raphidocelis subcapitata

作者：Ding Guanghui; Li Xue; Zhang Fan; Chen Jingwen^*; Huang Liping; Qiao Xianliang

来源：Bulletin of Environmental Contamination and Toxicology, 2009, 83(4): 520-524.

DOI：10.1007/s00128-009-9811-8

• Herbicides
• Toxicity
• QSARs
• Green algae

Four quantitative structure-activity relationships were developed for toxicity of selected photosynthesis (PHS) inhibitors and acetolactate synthase (ALS) inhibitors to Chlorella Vulgaris and Raphidocelis subcapitata using a mechanism-based approach. These models have good fitness and predictive ability. The potential of electron transfer, intermolecular interactions with weak electron-transfer, and intermolecular dispersive interactions between PHS inhibitors and the active site of action are key factors influencing the toxicity of these PHS inhibitors. Intermolecular weak electron-transfer interactions and intermolecular dispersive interactions mainly determine the toxicity of these ALS inhibitors. Sulfonyl is an important functional group governing the toxicity of ALS inhibitors investigated.

• 出版日期2009-10
• 单位大连理工大学; 大连海事大学