源于天然产物、具有我国知识产权的新结构化合物WS070117（简称117）是申请者团队自主研制的国家1.1类调血脂候选新药，在国家"十一五"重大专项候选药物项目验收中被评为全国最优秀20个化学候选药物之一进入临床前研究。申请者在前期国家自然基金项目资助下确认AMP激活蛋白激酶（AMPK）是117调血脂作用的体内药靶。.本研究拟从分子层面精细描述117激活药靶行为路径和效应模式，不仅为该化合物进入临床研究提供理论支持，而且为分子药理学基础理论领域的拓展提供实验依据。.采用液质联用技术确定117体内激活AMPK的分子活性形式；以表面增强拉曼散射、荧光能量共振转移、核素标记等技术手段捕捉117细胞跨膜转运、胞内分子活化、激活药靶蛋白等行为信息；依据分子对接结果，以等温滴定量热、冷喷雾干燥质谱、点突变等技术获取分子间相互作用关键参数，构建化合物激活靶蛋白分子模型，阐明117激活AMPK的作用方式。

The new compound, WS070117 (abbreviated as 117), derived from natural products with intellectual property rights of China, is the national class 1.1 lipid-regulating candidate drug, which is developed by the applicant team independently. 117 has been approved to preclinical study and named as one of the twenty most outstanding chemical candidate drugs in the "eleventh five years" major project candidate drug acceptance, In the previous study funded by national natural science foundation, AMP-activated protein kinase (AMPK) was proved to be the lipid-regulating target of 117 in vivo. .In this study, we are going to fine describe the path and pattern of 117 activating AMPK , not only to provide theoretical support for the compound's clinical study, but also to supply experimental evidence for the expansion of the basic theory of lipid-regulating molecular pharmacology. . . LC-MS/MS hyphenated technique is employed to determine the molecular form of 117 activating AMPK in vivo. Then, the data about the transmembrance transport, activation of intracellular molecules and the drug target by 117 will be collected by using methods, such as Surface-Enhanced Raman Scattering, Fluorescence Resonance Energy Transfer, Radionuclide Labeling etc. On the basis of molecular docking results and molecules interaction key parameters acquired by Isothermal Titration Calorimetry, Cold Spray Drying Mass Spectrometry and Point Mutation etc, this study is planning to bulid the molecular model of compound activating drug target, further to make clear the action mode of 117 activating AMPK.