系统地用电喷雾质谱（ESI-MS）研究了重组人受体蛋白FKBP12（rhFKBP12）和其小分子神经生长促进剂配体的非共价键相互作用,从52个化合物中筛选出3个有非共价键结合的化合物000107,000308 和A2B12,并通过竞争实验测定了它们与rhFKBP12的结合位点和相对结合强度.清华大学对其中的两个000107,000308做出了复合物X射线晶体衍射的三维结构,与ESI-MS的结果相同,其中000308有较好的促神经生长的活性. The non-covalent interaction of the recombinant human receptor protein FKBP12 (rhFKBP12) and its small-molecule nerve growth promoter ligands was systematically investigated by electrospray ionization mass spectrometry (ESI-MS). Three of the 52 compounds were screened Non-covalently bonded compounds 000107, 000308 and A2B12, and their binding sites and relative binding strength to rhFKBP12 were determined by competition experiments.Among them, two of them, 000107,000308, made complex X-ray crystallography Three-dimensional structure, with the same result of ESI-MS, which 000308 has a good nerve growth activity.