Abstract:
Objective: Bursaphelenchus xylophilus disease is a very destructive nematode disease in the forestry field, and its rapid spread and wide distribution pose a serious threat to forestry ecology. In view of the key role of phosphoethanolamine methyltransferase (PEAMASE) in the growth and development of pine wood nematodes, this study used computer-aided drug design technology to screen out potential small molecules of PEAMT enzyme inhibitors using PEAMT enzyme as the target, predicted the toxicity of small drug molecules through T.E.S.T. software, clarified its targeting, and developed an environmentally friendly inhibitor of PEAMT inhibitors to inhibit pine wood nematodes.
松材线虫病是林业领域中的一种极具破坏性的线虫病害,其快速传播和广泛分布对林业生态构成严重威胁。鉴于磷酸乙醇胺甲基转移酶(PEAM酶)在松材线虫生长与发育中的关键作用,本研究利用计算机辅助药物设计技术,以PEAMT酶为靶点,筛选出潜在的PEAMT酶抑制剂药物小分子,通过T.E.S.T.软件预测药物小分子的毒性,明确其靶向性,开发出环境友好型抑制松材线虫PEAMT抑制剂。