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网络药理学视角下复方鱼腥草制剂抗肺炎支原体感染的作用机制研究及分子对接验证
马国立，王建波，樊家乙，河北省第一荣军优抚医院，河北邢台，054000
中外临床医学（Chinese and Foreign Clinical Medicine） , 2025, DOI: 10.12479/questpress-zwlcyx.20250101

Abstract: 肺炎支原体感染是一种常见的呼吸道疾病，其治疗难度和耐药性问题日益严重。复方鱼腥草制剂作为一种传统中药，具有抗病毒、抗菌和抗炎等功效，但其对抗肺炎支原体感染的作用机制尚不清楚。本研究通过网络药理学分析，识别了复方鱼腥草制剂中68种活性成分和242个潜在靶点，并通过与肺炎支原体感染相关靶点进行交集分析，最终确定了51个关键靶点。通过PPI网络分析和富集分析，发现这些关键靶点参与了IL-17信号通路、TNF信号通路等多个与肺炎支原体感染相关的通路。分子对接结果显示，复方鱼腥草制剂中的活性成分木犀草素、槲皮素、β-谷甾醇、山奈酚和豆甾醇与关键靶点JUN、PTGS2、TNF、MMP9、IL6、IFNG和IL1B具有良好的结合能力。Mycoplasma pneumoniae infection is a common respiratory disease, with increasing challenges in treatment and drug resistance. Compound Yuxingcao Mixture, a traditional Chinese medicine, possesses antiviral, antibacterial, and anti-inffammatory properties; however, its mechanism of action against Mycoplasma pneumoniae infection remains unclear. In this study, network pharmacology analysis identiffed 68 active ingredients and 242 potential targets of Compound Yuxingcao Mixture. Through intersection analysis with Mycoplasma pneumoniae infection-related targets, 51 key targets were determined. PPI network analysis and enrichment analysis revealed that these key targets are involved in multiple pathways associated with Mycoplasma pneumoniae infection, including the IL-17 signaling pathway and TNF signaling pathway. Molecular docking results demonstrated strong binding afffnity between active ingredients (luteolin, quercetin, β-sitosterol, kaempferol, and stigmasterol) and the core targets (JUN, PTGS2, TNF, MMP9, IL6, IFNG, and IL1B).

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复方鱼腥草制剂在风热犯肺证治疗中的网络药理学机制探讨与分子对接模拟验证
马国立，王建波，樊家乙，河北省第一荣军优抚医院，河北邢台，054000
中医药研究与应用 , DOI: 10.12479/questpress-zyyyjyyy.20250103

Abstract: 本研究基于网络药理学与分子对接技术，系统解析复方鱼腥草制剂治疗风热犯肺证的“多成分-多靶点-多通路”协同机制。通过TCMSP 及ETCM2.0 数据库筛选出68 个活性成分（如槲皮素、木犀草素）及其242 个潜在靶点，与风热犯肺证相关靶点取交集获得21 个核心靶点。KEGG 富集分析显示，靶点显著富集于NF-κB、TNF 等炎症通路，揭示复方通过抑制促炎因子释放及调节免疫稳态实现“清热解毒”功效，分子对接验证核心成分与靶点的强结合活性。研究表明，复方鱼腥草制剂通过协同作用，多层次干预炎症-免疫网络，科学诠释了中医“透表清热、宣肺解毒”的治则。本研究为中药复方机制解析提供了“系统预测-分子验证”整合范式，并为风热犯肺证的精准治疗及药物开发奠定理论基础。

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半夏饮片炮制减毒工艺标准化在治疗化疗相关性呕吐的临床疗效及安全性评价
周苏燕，苏州市吴中区胥口镇卫生院，江苏苏州，215164
中医药研究与应用 , DOI: 10.12479/questpress-zyyyjyyy.20250104

Abstract: 目的讨论半夏饮片炮制减毒工艺标准化在治疗化疗相关性呕吐(CINV)中的临床疗效和安全性评价。方法选取了2022 年2 月到次年2 月期间，本社区90 例接受化疗且“医共体”下转本院进行康复治疗肿瘤患者，并出现与化疗相关性呕吐患者作为本次的探究对象，随机数字表法把患者分为观察组与对照组各45 例。对照组给予西药常规止吐治疗，观察组在常规治疗基础上实施经标准化工艺炮制的半夏饮片制剂。比较两组患者止吐效果、生活质量、不良反应发生情况以及满意度。并对该药物安全进行评价。结果观察组总有效率为91.11%，明显的高于对照组的73.33%；观察组生活质量评分(84.26±6.32)分明显的高于对照组(72.18±7.45)分；观察组不良反应发生率为8.89%，显著低于对照组22.22%。在经过标准化炮制工艺的处理后，半夏饮片的毒性成分含量明显降低，其有效成分保留率达85.73%。结论标准化炮制工艺能够有效地降低半夏饮片的毒性，还能保留其有效的成分，用于治疗化疗相关性呕吐具有显著的临床疗效和较高的安全性，值得在临床推广应用。

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基于网络药理学和分子对接技术探讨岑连口服液治疗病毒性呼吸道感染的作用机制
Based on Network Pharmacology and Molecular Docking to Explore the Mechanism of Action of Cenlian Oral Liquid in the Treatment of Viral Respiratory Tract Infections [PDF]
李雨桐, 周晶晶
Nursing Science (NS) , 2026, DOI: 10.12677/ns.2026.152051

Abstract: 目的：利用网络药理学与分子对接技术探讨岑连口服液治疗病毒性呼吸道感染(VRTI)的主要活性成分、潜在作用靶点及机制。方法：本研究以网络药理学为基础，借助中药系统药理学数据库与分析平台(TCMSP)及PubMed等数据资源，分析岑连口服液中潜在的有效成分及其相应靶标；接着，通过GeneCards数据库和OMIM数据库检索VRTI相关的疾病靶点，并确定成分与疾病之间的共同靶点集合；接着，利用STRING数据库搜集蛋白质相互作用信息，并应用Cytoscape3.8.0软件绘制蛋白质-蛋白质相互作用(PPI)网络以及药物–成分–靶点关系图；再采用RStodio工具包进行基因本体(GO)和京都基因与基因组百科全书(KEGG)通路富集研究，以识别潜在的作用机制通路；最后，使用AutoDock软件对关键活性成分与核心靶点进行分子对接验证实验。结果：共筛选出岑连口服液141个活性成分、1900个成分靶点；VRTI相关的疾病靶点12491个，与岑连口服液的交集靶点共有243个；其中主要活性成分包括槲皮素(quercetin)、山柰酚(kaempferol)、木犀草素(luteolin)、汉黄芩素(wogonin)、异微凸剑叶莎醇(7-O-methylisomucronulatol)等，核心靶点包括肿瘤蛋白p53 (TP53)、JUN、雌激素受体1 (ESR1)、蛋白激酶B1 (AKT1)、热休克蛋白90α家族A类成员1 (HSP90AA1)、肿瘤坏死因子(TNF)等；涉及脂质与动脉粥样硬化(Lipid and atherosclerosis)、人类巨细胞病毒感染(Human cytomegalovirus infection)、PI3K-Akt信号通路(PI3K-Akt signaling pathway)等通路；分子对接结果显示，5个主要活性成分与关键靶点均有不同程度的对接效果，其中槲皮素对接效果最好，以氢键结合为主。结论：岑连口服液通过多成分、多靶点、多通路协同作用介导对VRTI的治疗效应，体现中药整体调节的药理特征。
Objective: To explore the main active ingredients, potential therapeutic targets, and mechanisms of Cenlian Oral Liquid in the treatment of Viral Respiratory Tract Infections (VRTI) using network pharmacology and molecular docking techniques. Methods: Based on network pharmacology, potentially effective components and their corresponding targets in Cenlian Oral Liquid were analyzed using data resources such as the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and PubMed. Subsequently, VRTI-related disease targets were retrieved from the GeneCards and OMIM databases, and the intersection targets between the components and the disease were identified. Protein-Protein Interaction (PPI) information was collected using the STRING database, and Cytoscape 3.8.0 software was used to construct PPI networks and drug–component–target relationship diagrams. The RStudio toolkit was employed for Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses to identify potential mechanism-related pathways. Finally, AutoDock software was used to perform molecular docking validation between key active components and core targets. Results: A total of 141 active components and 1900 component targets were identified in Cenlian Oral Liquid, and 12,491 VRTI-related disease targets were retrieved, with 243 overlapping targets between the two. The main active components included quercetin, kaempferol, luteolin, wogonin, and

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呼畅清肺浓缩丸对肺炎支原体感染鼠免疫功能影响的研究
李继昌,王伟明,张洪娟,董龙
中国中药杂志 , 2005,

Abstract: 目的研究呼畅清肺浓缩丸提高肺炎支原体感染大鼠免疫功能的作用及机制。方法采用滴鼻法建立大鼠肺炎支原体感染模型,通过放射免疫法、速率散射比浊法和流式细胞仪技术研究呼畅清肺浓缩丸对模型大鼠体液免疫和细胞免疫功能的影响。结果与模型组比较,呼畅清肺浓缩丸能明显提高感染大鼠血清中IgG,IgM,IL2和IL6水平,降低TNFα和C3补体含量,并使CD+4/CD+8比值增高。结论呼畅清肺浓缩丸能够明显改善支原体感染大鼠体液免疫和细胞免疫功能低下的状态,具有提高机体抗病原体感染的免疫作用。

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基于网络药理学和分子对接研究黄芩汤抗细菌感染的作用机制
Network Pharmacology and Molecular Docking Analyses on Huangqin-Tang Decoction in the Treatment of Bacterial Infection [PDF]
唐思, 陈双扣, 谭小庆, 徐明鑫, 秦齐刚, 徐曦, 郭耘牧, 管天冰
Hans Journal of Medicinal Chemistry (HJMCe) , 2022, DOI: 10.12677/HJMCe.2022.102011

Abstract: 目的：探讨黄芩汤治疗细菌感染的潜在机制及药效物质。方法：通过中药系统药理学数据库与分析平台(TCMSP)和GeneCards数据库获得黄芩汤抗细菌感染的活性成分及基因集。运用STRING数据库进行GO及KEGG通路富集分析，并利用Cytoscape V3.8.3软件构建活性成分–靶点、靶点–靶点相互作用(PPI)以及成分–靶点–通路(C-T-P)网络图。采用AutoDock vina对核心成分和关键靶点进行分子对接，最后借助体外抑菌实验，验证核心成分的抑菌活性。结果：共筛选出黄芩汤抗细菌感染的43个潜在靶点和11个活性成分。网络分析表明，槲皮素、山柰酚、汉黄芩素和β-胡萝卜素可能作用于TNF、CASP3、IL6和JUN 4个核心靶点，并通过Toll-like receptor、NOD-like receptor、NF-kappa B和RIG-I-like receptor signaling pathway等通路发挥抗细菌感染的作用。分子对接结果显示关键靶点与4个核心成分具有较高的亲和力。体外抑菌实验验证槲皮素、山柰酚、汉黄芩素和β-胡萝卜素有较好的抑菌活性。结论：网络药理学方法整合分子对接技术和体外抑菌实验研究，表明黄芩汤治疗细菌感染具有多成分、多靶点和多通路的特点，本文揭示了其药效物质和作用机制，为开发治疗细菌感染的新型联合药物提供了途径。
Objective: To explore the potential mechanism and pharmacodynamic substances of Huangqin-Tang decoction in the treatment of bacterial infection. Methods: A target gene set and ac-tive compounds of Huangqin-Tang decoction against bacterial infection were obtained using the Traditional Chinese Medicine Systems Pharmacology database (TCMSP) and GeneCards databases. STRING database was utilized for Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. The compounds-targets network, compounds-targets-pathways net-work (C-T-P) and proteins-proteins interaction (PPI) network were constructed using Cytoscape 3.8.3 software. Molecular docking was performed to visualize the patterns of interactions between the core compounds and key target. Bacteriostatic experiment in vitro was performed to verify the antibacterial activity of core compounds screened. Result: 43 potential targets and 11 active com-pounds of Huangqin-Tang decoction in treatment of bacterial infection were screened. Network analysis indicated that quercetin, kaempferol, wogonin, and beta-carotene may act on 4 core tar-gets, which were TNF, JUN, IL6 and CASP3, and Toll-like Receptor, NOD-like receptor, NF-kappa B, and RIG-I-like receptor signaling pathway and other pathways played a role in anti-bacterial infec-tion. The molecular docking result showed that the key targets had high binding affinity with four core compounds of Huangqin-Tang decoction. In vitro bacteriostatic experimental verified that quercetin, kaempferol had good anti-inflammatory effect. Conclusion: The network pharmacological strategy integrates molecular docking and bacteriostatic experiment in vitro to reveal the thera-peutic effect and potential mechanism of Huangqin-Tang decoction on bacterial infection, which could provide the way to develop new combination medicines for bacterial infection.

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槟榔–草果–厚朴治疗上呼吸道感染作用机制的网络药理学研究
Study on the Mechanism of Betel Nut-Tsaoko-Magnolia Officinalis in the Treatment of Upper Respiratory Tract Infection by Network Pharmacology [PDF]
王猛, 王宽宇
Hans Journal of Medicinal Chemistry (HJMCe) , 2024, DOI: 10.12677/hjmce.2024.122014

Abstract: 目的：通过网络药理学探究槟榔–草果–厚朴治疗上呼吸道感染的潜在作用机制。方法：从TCMSP、BATMAN-TCM和Swiss Target Prediction数据库中搜集活性成分和作用靶点，从Gene Cards数据库中搜集上呼吸道感染相关靶点。通过Venny2.1.0平台得到两者的共同靶点，并通过STRING11.0数据库和Cytoscape3.7.1构建PPI。用Cytoscape3.7.1筛选主要活性成分和核心靶点，再用Metascape数据库和CB-Dock数据库完成富集分析和分子对接，最后用微生信进行可视化处理。结果：共得到16个活性成分和190个共同靶点，根据Degree值，Quercetin、Procyanidin B1、Daucosterol_qt、Eucalyptol、Neohesperidin等10个为主要活性成分和TNF、MMP-9、STAT3、AKT1、TGFB1、PTGS2等10个为核心靶点；富集分析提示药物可能通过影响多生物过程、细胞组分及分子功能，及PI3K-AKT信号通路、松弛素信号通路、NF-κB信号通路、cAMP信号通路、FoxO信号通路等发挥作用；分子对接显示主要活性成分与核心靶点具有结合性，且大部分结合性强烈。结论：槟榔–草果–厚朴治疗上呼吸道感染的潜在作用机制涉及抗病毒、抗炎和增强免疫力三方面。
Objective: To explore the potential mechanism of Areca catechu-Amomumtsaoko-Magnolia officinalis in the treatment of upper respiratory tract infection through network pharmacology. Methods: The active components and targets of drugs were collected from TCMSP, BATMAN-TCM and SwissTargetPrediction databases, and the targets related to upper respiratory tract infection were collected from GeneCards database. Through Venny2.1.0 platform, the common targets of the two are obtained, and PPI is constructed through STRING11.0 database and Cytoscape 3.7.1. The main active components and core targets were screened by Cytoscape 3.7.1, and then the enrichment analysis and molecular docking were completed by Metascape database and CB-Dock database, and finally the visualization was carried out by micro-signal. Results: A total of 16 active components and 190 common targets were obtained. According to the Degree value, 10 active components such as Quercetin, Procyanidin B1, Daucosterol_qt, Eucalyptol and Neohesperidin were the main active components and 10 core targets such as TNF, MMP-9, STAT3, AKT1, TGFB1 and PTGS2. Enrichment analysis suggests that drugs may play a role by affecting multi-biological processes, cell components and molecular functions, PI3K-AKT signaling pathway, relaxin signaling pathway, NF-κB signaling pathway, cAMP signaling pathway and FoxO signaling pathway. Molecular docking shows that the main active components are bound to the core targets, and most of them are strongly bound. Conclusion: The potential mechanism of Areca catechu-Amomumtsaoko-Magnolia officinalis in treating upper respiratory tract infection involves antivirus, anti-inflammation and enhancing immunity.

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基于网络药理学和分子对接探索血必净注射液治疗冠状病毒肺炎的潜在机制
何天目,张建永,李晓飞,段灿灿
- , 2020, DOI: 10.13748/j.cnki.issn1007-7693.2020.04.004

Abstract: 目的基于网络药理学和分子对接预测血必净注射液治疗冠状病毒肺炎潜在靶点及分子机制，为揭示血必净注射液治疗新型冠状病毒肺炎（COVID-19）的潜在网络作用机制提供科学依据。方法检索国内外文献获取血必净注射液主要活性成分，通过ETCM、TCMSP及Targetnet在线数据库预测作用靶点；检索GeneCards、CTD及OMIM数据库获取冠状病毒肺炎相关靶点；整合分析获取血必净注射液治疗冠状病毒肺炎的靶点；采用STRING分析靶点蛋白的互作关系；通过Enrichr数据库进行基因功能及作用通路富集分析；采用Cytoscape软件进行网络可视化；最后采用iGEMDOCK软件对关键靶点进行分子对接分析。结果本研究共收集到血必净注射液中活性成分30个，可作用于222个靶点，进一步分析其治疗冠状病毒肺炎的17个核心成分与18个核心靶点，主要作用于甲型流感，NF-κB、HIF-1及VEGF等信号通路。发现与关键靶点对接较好的成分有羟基红花黄色素A、绿原酸及丹酚酸B等。结论本研究揭示了血必净注射液治疗冠状病毒肺炎多成分、多靶点、多通路的特点，可为其治疗COVID-19潜在网络作用机制提供新的线索

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基于网络药理学探讨鱼腥草治疗急性肺损伤的作用机制
Exploring the Mechanism of Houttuynia cordata in Treating Acute Lung Injury Based on Network Pharmacology [PDF]
祁一凡, 李艳, 田永洁, 段胜兰, 李宜函
Hans Journal of Biomedicine (HJBM) , 2024, DOI: 10.12677/hjbm.2024.142038

Abstract: 目的：利用网络药理学去探究鱼腥草治疗急性肺损伤的作用机制。方法：首先，通过TCMSP、Swisws Target Prediction数据库查找鱼腥草的有效成分，并利用Uniport数据库将有效成分转化为基因靶点；然后通过GeneCards、OMIM、DisGeNET数据库获取急性肺损伤疾病的靶点，再将两者基因相交，筛选得到共同的基因靶点，并用Venny绘图，再使用Cytoscape去构建中药–疾病–成分–靶点的网络图，并从STRING数据库分析并筛选获得相同靶点蛋白–蛋白相互作用(PPI)网络图，利用Cytoscape软件分析绘制PPI网络图，运用cytoHubba的Degree算法，筛选关键基因靶点，建立关键基因靶点的网络模型。同时，使用微生信在线平台去进行富集分析，分析潜在靶点的基因功能以及信号通路，从而从系统生物学整体水平揭示鱼腥草潜在有效成分和作用机制。结果：结果分为三部分：成分、靶点和途径。在成分方面，发现鱼腥草的5种活性成分，其中槲皮素、山奈酚是主要活性成分。共发现132个靶点，其中128个主要靶点和ALI共同拥有。此外，鱼腥草治疗ALI的主要通路是Pathways in cancer信号通路、Lipid and atherosclerosis信号通路、AGE-RAGE信号通路等。结论：由于鱼腥草的多组分、多靶点和多通道功能，本研究通过网络药理学初步揭示了鱼腥草治疗ALI的潜在调节网络。为合理开发利用鱼腥草植物资源、保护和发展民族医药文化提供研究依据。
Objective: To explore the mechanism of Houttuynia cordata in treating acute lung injury using network pharmacology. Method: Firstly, search for the active ingredients of Houttuynia cordata using TCMSP and Swisws Target Prediction databases, and convert the active ingredients into gene targets using the Uniport database; Then, the targets of acute lung injury disease were obtained through GeneCards, OMIM, and DisGeNET databases. The two genes were intersected and screened to obtain common gene targets. Venny was used to draw the graph, and Cytoscape was used to construct the network diagram of traditional Chinese medicine disease component target. The protein protein interaction (PPI) network diagram of the same target was analyzed and screened from the STRING database. Cytoscape software was used to analyze and draw the PPI network diagram. CytoHubba’s Degree algorithm was used to screen key gene targets and establish the network model of key gene targets. At the same time, the online platform of Weishengxin is used for enrichment analysis, analyzing the gene functions and signaling pathways of potential targets, in order to reveal the potential effective ingredients and mechanisms of action of Houttuynia cordata from the perspective of systems biology as a whole. Result: The results are divided into three parts: components, targets, and pathways. In terms of ingredients, five active ingredients were found in Houttuynia cordata, among which quercetin and kaempferol are the main active ingredients. A total of 132 targets were discovered, of which 128 major targets are shared with ALI. In addition, the main pathways through which Houttuynia cordata treats ALI are the Pathways in Cancer signaling pathway, Lipid and Atherosclerosis signaling pathway, AGE-RAGE signaling pathway, etc. Conclusion: Due to the multi-component, multi-target, and multi-channel functions of Houttuynia

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