脱落酸是一种重要的植物激素分子，具有调控植物生长发育及提高植物抗逆抗旱性能的重要作用。然而，由于脱落酸的化学合成成本很高且稳定性较差，无法直接在农业生产中进行大规模应用。因此，开发出性能更优异的廉价脱落酸类似物是一个具有重要理论与实际意义的研究课题。近年来有关脱落酸受体的结构生物学研究取得重要进展，为深入研究脱落酸与其受体之间的相互作用机制以及设计新型的脱落酸类似物提供了可能。为此，本项目将综合运用计算化学、有机合成及生物化学等多学科技术，开展基于受体结构的新型脱落酸类似物的分子设计与合成研究，拟采用基于碎片的分子设计策略分别针对脱落酸受体中的疏水性口袋和亲水性口袋进行碎片筛选，最后选取合适的分子碎片进行组合，从而获得性能优良的脱落酸受体激动剂。本项目的实施不仅可为研究植物体内由脱落酸介导的信号传导机制提供新型探针分子，而且还可为进一步开发具有实际应用价值的脱落酸类似物提供先导结构。

As one of the most important phytohormone, abscisic acid plays a very important role for regulation of plant growth and improvement of stress- and drought- resistance. However, high cost for the chemical synthesis and unstability make great difficult for the application of abscisic acid. Hence, it is of great theoretical and practical significance to develop efficient and low-cost molecule to replace abscisic acid. Recently, the researches about the crystal structure of abscisic acid receptor have made great progress, which provid possibilities for deeply understanding the interaction mechanism between abscisic acid and its receptor and the molecular design. Hence, structure-based design of novel abscisic acid analogs will be studied by using the techniques of computational chemistry, organic synthesis, and biochemistry. The fragment-based designing will be used to break through the difficulties of the agonist design that how to select proper hydrophobic and hydrophilic fragment and how to link them to play function. The implementation of this project will not only provide molecular probes with different structures for deeply understanding the signal transduction mechanism related biological function of abscisic acid, but provide lead structures for further developing efficient abscisic acid analogs used for agriculture.