首页|基于网络药理学和分子对接探究壮药地耳草抗肝纤维化的潜在作用机制

基于网络药理学和分子对接探究壮药地耳草抗肝纤维化的潜在作用机制

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目的 基于网络药理学与分子对接技术探究传统壮药地耳草抗肝纤维化的作用机制。方法 利用网络药理学技术搜集地耳草药物作用靶点和肝纤维化疾病靶点，绘制构建"地耳草核心成分-作用靶点"及蛋白-蛋白相互作用网络图，最后使用Discovery studio对分子对接结果进行可视化处理、分析并预测其作用机制。结果 筛选得到地耳草有效活性成分7种，药物靶点227个。在药物作用通路中涉及到肝纤维化的主要有Ras-proximate-1信号通路、内分泌抵抗、表皮生长因子受体酪氨酸激酶抑制剂耐药性通路等;分子对接结果显示，地耳草活性成分与核心靶点蛋白均有较好的结合活性;在地耳草抗肝纤维化核心靶点中，非受体酪氨酸激酶能够竞争血管内皮生长因子结合靶点，或者在血管内皮生长因子的作用下抑制肝血管的再生，可起到阻断肝纤维化进展的作用。蛋白激酶 B能够经过血管内皮生长因子诱导后非受体酪氨酸激酶激活其激活PKB/Akt细胞信号传导通路，抑制凋亡诱导基因的表达和蛋白水解酶的活性，减缓肝固有细胞的损伤。结论 地耳草有效活性成分能够发挥抗肝纤维化作用，但地耳草在肝纤维化不同进程中具有不同的效果，其药物作用机制有待进一步研究。
Potential Effects and Mechanism of Hypericum Japonicum against Liver Fibrosis Based on Network Pharmacology and Molecular Docking
Objective To investigate the mechanism of action of Hypericum japonicum,a traditional Zhuang medicine,against liver fibrosis using network pharmacology and molecular docking.Methods Network pharmacology was used to screen for the drug targets and liver fibrosis disease targets of Hypericum japonicum before the PPI network diagram of"Hypericum japonicum core components-targets"and protein interactions was created.Finally,Discovery Studio was employed to visualize and analyze the results of molecular docking and predict the mechanism of action.Results Seven active ingredients and 227 drug targets were obtained from the screening of Hypericum Japonicum.Among the drug pathways involved in liver fibrosis,the main ones were Ras-proximate-1 signaling pathway,endocrine resistance,and epidermal growth factor receptor tyrosine kinase inhibitor resistance pathway.Molecular docking results showed that the active ingredients of Hypericum Japonicum had better binding activities with the core target proteins.Among the key targets for combating hepatic fibrosis in Hypericum japonicum,the sarcoma receptor coactivator protein could compete with the vascular endothelial growth factor for binding targets or hinder the regeneration of hepatic blood vessels in the presence of the vascular endothelial growth factor,thus impeding the progression of hepatic fibrosis.The protein kinase B protein kinase could be activated by the sarcoma receptor coactivator protein to stimulate the PKB/Akt signaling pathway,which in turn inhibi-ted the expressions of apoptosis-inducing genes and protein hydrolase activity after vascular endothelial growth factor induction so that the damage to liver cells was mitigated.Conclusion The active ingredients of Hypericum japonicum can exhibit anti-hepatic fibrosis effects.However,the effects of Hypericum japonicum vary according to the stages of hepatic fibrosis,so more research is needed to shed light on its mechanism of action.

Hypericum japonicumnetwork pharmacologymolecular dockinghepatic fibrosis

王玥、王佳慧、汪磊、李明阳、赵铁建、梁天坚、郑洋

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530222 广西南宁,广西中医药大学赛恩斯新医药学院

530222 广西南宁,广西中医药大学基础医学院

地耳草 网络药理学 分子对接 肝纤维化

国家自然科学基金项目广西自然科学基金面上项目广西中医药大学赛恩斯新医药学院科研项目广西中医药大学赛恩斯新医药学院科研项目广西中医药大学赛恩斯新医药学院科研项目广西中医药大学校级课题广西中医药大学校级课题

822047552024GXNSFAA0102352022MS0082022MS0022022QJ0012022MS0242022QN008

2024

10.3969/j.issn.1008-9926.2024.03.006

解放军药学学报
中国人民解放军总后勤部卫生部 药品仪器检验所

解放军药学学报

影响因子：0.529
ISSN：1008-9926
年,卷(期)：2024.37(3)