基于瓦尔德聚类及网络药理学探讨中药治疗雄激素性脱发的作用机制*

作者：周蓉娴1，邓 斌1，张清池1，罗 健2，严 承1

单位：1.湖南中医药大学，湖南 长沙 410208；2.湖南省中医药研究院，湖南 长沙 410000

引用：引用：周蓉娴，邓斌，张清池，罗健，严承.基于瓦尔德聚类及网络药理学探讨中药治疗雄激素性脱发的作用机制[J].中医药导报,2025,31(3):114-121.

DOI：10.13862/j.cn43-1446/r.2025.03.019

PDF： 下载PDF

摘要：

目的：探讨中药治疗雄激素性脱发（AGA）的作用机制。方法：通过中国知网（CNKI）、万方数据库、维普数据库、中国生物医学文献数据库（CBM）、PubMed、Web of Science等数据库检索临床治疗AGA的期刊文献，从文献中收集治疗AGA的方剂。统计高频药物用药频数、药味、药性、归经和功效等，进行关联规则和瓦尔德聚类分析。对高频药物进行各项分析后，得到治疗AGA的7味核心药物组。基于网络药理学分析核心药物组的活性成分、靶蛋白及相关通路，分子对接验证核心靶点与核心药物活性成分的结合能力。结果：筛选得到501份符合标准的处方，涉及512味中药，其中高频中药以补益药和活血药为主，药性以辛、苦为主。瓦尔德聚类分析将高频药物分为四类，其中聚一类第3组药物（川芎-生地黄-制何首乌-侧柏叶-茯苓-当归-白鲜皮）在多种不同分析方法中出现频数较高，作为核心药物组。检测出59种核心药物组的活性成分，1 128个潜在作用靶点，以及944个AGA靶点。PPI网络分析结果显示，核心靶蛋白包括AKR1C3、EP300、HPGDS等。分子对接确认了核心靶蛋白与核心活性成分结合能力较好。结论：中药治疗雄激素性脱发的核心药物组合为川芎、生地黄、制何首乌、侧柏叶、茯苓、当归、白鲜皮，具有补益肝肾、活血化瘀的功效。核心药物组可通过多个靶蛋白参与信号通路调节，降低雄激素影响，改善头皮微循环，刺激毛发生长。

关键词：雄激素性脱发；中药；网络药理学；瓦尔德聚类；分子对接

Abstract：

Objective: To explore the mechanism of traditional Chinese medicine (TCM) in treating androgenetic alopecia (AGA). Methods: Clinical journal articles on the treatment of AGA were retrieved from databases including CNKI, Wanfang, VIP, China Biology Medicine (CBM), PubMed, and Web of Science. Prescriptions for AGA treatment were collected from the literature. High-frequency herbs were analyzed for their frequency, properties, flavors, meridian tropism, and efficacy. Association rules and Ward's clustering analysis were performed. After comprehensive analysis, a core group of seven herbs for AGA treatment was identified. Network pharmacology was used to analyze the active components, target proteins, and related pathways of the core herb group. Molecular docking was employed to verify the binding ability between core targets and active components. Results: A total of 501 prescriptions meeting the criteria were screened, involving 512 Chinese herbs. High-frequency herbs were primarily tonifying and blood-activating, with pungent and bitter properties dominating. Ward's clustering analysis categorized high-frequency herbs into four groups, with the third group [Chuanxiong (Chuanxiong Rhizoma), Shengdihuang (Rehmanniae Radix), Zhiheshouwu (Polygoni Multiflori Radix Praeparata), Cebaiye (Platycladi Cacumen), Fuling (Poria), Danggui (Angelicae Sinensis Radix), and Baixianpi (Dictamni Cortex)] appearing most frequently across different analytical methods and thus identified as the core herb group. Fifty-nine active components, 1 128 potential targets, and 944 AGA-related targets were identified. Protein-protein interaction (PPI) network analysis revealed core target proteins, including AKR1C3, EP300, and HPGDS. Molecular docking confirmed strong binding affinity between core target proteins and active components. Conclusion: The core herb combination for treating AGA includes Chuanxiong (Chuanxiong Rhizoma), Shengdihuang (Rehmanniae Radix), Zhiheshouwu (Polygoni Multiflori Radix Praeparata), Cebaiye (Platycladi Cacumen), Fuling (Poria), Danggui (Angelicae Sinensis Radix), and Baixianpi (Dictamni Cortex), which tonify the liver and kidneys, activate blood circulation, and resolve stasis. The core herb group regulates multiple signaling pathways through various target proteins, reduces androgen effects, improves scalp microcirculation, and stimulates hair growth.

Key words：androgenetic alopecia; traditional Chinese medicine; network pharmacology; Ward's clustering; molecular docking

发布时间：2025-12-15

点击量：3