目的 基于补阳还五汤抗缺血性脑卒中的超分子“印迹模板”理论中的物质流量平衡原理，建立网络动力学平衡常数模型，阐明补阳还五汤复方抗脑缺血成分-成分作用关系，为中药复方治疗疾病的复杂作用体系提供新思路。方法 通过UPLC-MS/MS测定补阳还五汤血药成分及其浓度，研究稳态血药浓度内再次给药对体系的扰动，以网络动力学数学模型为媒介，选取20个有效成分作为模型中的节点，计算补阳还五汤网络动力学平衡常数参数，从而以平衡常数矩阵的方式揭示补阳还五汤成分群在体内的作用关系。结果 在构建的平衡常数拓扑网络中，补阳还五汤中10种入血成分对网络有正向调控作用，按作用大小排序为异黄芪皂苷I＞琥珀酸＞刺芒柄花苷＞洋川芎内酯H＞洋川芎内酯I＞香草醛＞丁烯苯酞＞苦杏仁苷＞氧化芍药苷＞3-羟基-9,10-二甲氧基紫檀烷；另10种成分网络有负向调控作用，按作用大小排序为黄芪皂苷I＞洋川芎内酯C＞阿魏酸＞羟基红花黄色素A＞藁本内酯＞胡萝卜苷＞洋川芎内酯A＞毛蕊异黄酮＞芒柄花素＞毛蕊异黄酮葡萄糖苷，异黄芪皂苷I、黄芪皂苷I等成分的作用平衡常数较大。结论 在构建的成分-成分间的平衡常数拓扑网络中，异黄芪皂苷I、黄芪皂苷I等对成分群间的网络影响较大，可能为补阳还五汤治疗缺血性脑卒中的“印迹模板”。

Objective To establish a network dynamic equilibrium constant model based on the principle of material flow balance in the supramolecular “imprinted template” theory of Buyang Huanwu Decoction (补阳还五汤) for treating ischemic stroke, and clarify the relationship between the components of Buyang Huanwu Decoction compound for treating cerebral ischemia, in order to provide a new idea for the complex system of traditional Chinese medicine (TCM) compound for treating diseases. Methods HPLC-MS/MS was used to determine the components and concentrations of Buyang Huanwu Decoction in blood to study the disturbance of the system induced by re-administration within the steady-state concentration of blood drugs. Using the mathematical model of network dynamics as the medium, 20 active components were selected as nodes in the model to calculate the dynamic equilibrium constant parameters of Buyang Huanwu Decoction network. In this way, the relationship between the components of Buyang Huanwu Decoction in vivo was revealed by means of equilibrium constant matrix. Results In the topology network of equilibrium constant constructed, 10 components of Buyang Huanwu Decoction had positive effects in blood, which were sorted as follows: Isoastragaloside I > succinic acid > ononin > senkyunolide H > senkyunolide I > vanillin > butylidenephthalide > amygdalin > oxypaeoniflorin > methylnissolin; The other 10 components had negative effects, sorted by effect as follows: Astragaloside I > senkyunolide C > ferulic acid > hydroxysafflor yellow A > ligustilide > daucosterol > senkyunolide A > calycosin > formononetin > calycosin7-O-β-D-glucopyranoside. The equilibrium constants of isoastragalus I and astragalus I were larger. Conclusion Isoastragalus I and astragalus I have a great effect on the network among the constituent groups in the constructed topological equilibrium constant network, which may be the “blot template” of Buyang Huanwu Decoction in the treatment of ischemic stroke.

国家自然科学基金资助项目（81874507）；国家自然科学基金资助项目（82274215）；湖南省重点研发计划项目（2022SK2014）；湖南省自然科学基金和科药联合基金项目（2021JJ80058，2022JJ30453，2023JJ60124）；湖南省教育厅项目（22B0379）；长沙市自然科学基金资助项目（kq2208192）；湖南中医药大学校级研究生创新课题（2023CX140）