具有缓释作用α-萘乙酸辛醇酯微乳液的制备与生物活性

[目的]改变α-萘乙酸脂溶性和实现缓释效应。[方法]α-萘乙酸与辛醇酯化制备出α-萘乙酸辛醇酯并进行微乳液化,制备出吐温80为表面活性剂、1,2-丙二醇为助表面活性剂、α-萘乙酸辛醇酯与大豆油为油相的稳定微乳液;考察了微乳液对小麦种子生长调节活性。[结果]α-萘乙酸辛醇酯与大豆油质量比为4∶1时可制备出稳定的微乳液,稀释不同倍数后仍可得到稳定乳液体系,满足不同使用需求;α-萘乙酸辛醇酯微乳液能显著促进小麦种子生长,并具有缓释作用。[结论]α-萘乙酸辛醇酯微乳液促进小麦种子生长作用表明农药-脂质键合体纳米化技术在植物生长调节剂领域具有可行性和应用价值。

Homology Modeling,Molecular Docking,and Molecular Dynamic Simulation of the Binding Mode of PA-1 and Botrytis cinerea PDHc-E1

To reveal the potential fungicidal mechanism of 5-((4-((4-chlorophenoxy)methyl)-5-iodo-1H-1,2,3-triazole-1-yl)methyl)-2-methylpyrimidin-4-amine(PA-1)against Botrytis cinerea(B.cinerea),the three-dimensional structure of B.cinerea pyruvate dehydrogenase complex E1 component(PDHc-E1)is homology modeled,as the PA-1 shows potent E.coli PDHc-E1 and B.cinerea inhibition.Subsequent molecular docking indicates the PA-1 can tightly bind to B.cinerea PDHc-E1.Molecular dynamic simulation and MM-PBSA calculation both demonstrate that two in-termolecular interactions,π-πstacking and hydrophobic forces,provide the most contributions to the binding of PA-1 and B.cinerea PDHc-E1.Furthermore,the halogen bonding interaction between the iodine atom in PA-1 and OH in Ser181 is also crucial.The present study provides a valuable attempt to homology model the structure of B.cinerea PDHc-E1 and some key factors for the rational structure optimization of PA-1.