Feng Hao, Chenzhe Li, Yan Luo, Tingyan Dong, C. Wang, Ziruo He, J Y Li, Haosen Yang, Kun Wei, Y P Yang, Le Cai
Rising environmental and health risks of synthetic pesticides have fueled the search for eco-friendly alternatives. Taiwania flousiana Gaussen, a rare evergreen, is a valuable source of bioactive compounds, with the lignan Taiwanin E (from its discarded bark in Yunnan, China) showing potential insecticidal activity. Herein, we chemically modified Taiwanin E to improve its solubility and insecticidal activity, and the resultant derivative E13 exhibited potent larvicidal activity against Armigeres subalbatus larvae. Enzyme assays, molecular docking, and dynamics simulations validated this activity, while DFT calculations clarified the structural basis for E13 ’s superior performance. Bee toxicity tests further confirmed its environmental safety. This study identifies Taiwanin E derivatives as promising sustainable alternatives to conventional insecticides, advancing eco-friendly pest control and enabling resource utilization of the endangered T. flousiana .