Effect of chlorine atoms on binding between amide herbicides and soil enzymes: Molecular mechanism and structure-activity relationship

• Published in: Environmental chemistry and ecotoxicology Vol. 7; pp. 1749 - 1760
• Main Authors: Yang, Chuanxi, Wang, Xiaoning, Lin, Jingyan, Wu, Yongkun, Wan, Ziheng, Wang, Weiliang
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 2025; KeAi Communications Co., Ltd
• Subjects: Amide herbicides; Chlorine atoms; Molecular docking; Soil enzymes; Structure-activity relationship; Soil enzymes; Amide herbicides; Structure-activity relationship; Chlorine atoms; Molecular docking

Amide herbicides (AHs) significantly disrupt biogeochemical cycling of soil elements, particularly carbon, through the inhibition of key soil enzymes (SEs) activities. This study explores interactions between seven typical AHs and two SEs through molecular docking, density functional theory (DFT) ca...