A Comprehensive Environmental and Molecular Strategy for the Evaluation of Fluroxypyr and Nature-Derived Compounds.

This study evaluated the effects of different doses of the herbicide fluroxypyr on soil microbial communities under controlled laboratory conditions. Specific enzymatic activities ((dehydrogenase (DA), urease (UA), catalase (CA), phosphatase (PA)) and quantitative variations in bacterial and fungal populations were measured regarding key physico-chemical soil parameters (temperature, pH, electrical conductivity, moisture, organic matter, ammonium, nitrate nitrogen, and available phosphate content). The effects of the herbicide on the targeted parameters were dose- and time-dependent. Fluroxypyr induced a clear decrease in DA, CA, and PA during the first 14 days after administration, while UA showed a decrease in the first 7 days, followed by a slight increase starting on day 14, closely related to the applied dose. Microbial populations decreased in direct relation to the fluroxypyr dose. Organic matter content exhibited a positive correlation with DA, UA, CA, as well as with microbial populations. In addition, three natural compounds structurally similar to fluroxypyr were identified via 3D virtual screening, demonstrating potential herbicidal activity. Fluroxypyr can alter soil metabolic activity and disrupt microbial communities, thereby affecting soil fertility. Used as a reference in 3D screening, fluroxypyr helped identify three natural compounds with potential herbicidal activity as safer alternatives to synthetic herbicides.