Department of Clinical Pharmacology, The Second Hospital of Anhui Medical University, Hefei, 230601, China.
BMC Complement Med Ther. 2020 Feb 5;20(1):37. doi: 10.1186/s12906-020-2815-y.
Yiganling (YGL) capsule is a traditional Chinese medicine preparation consisting of eight herbs that has been clinically proven to have a favorable treatment effect on Hepatitis B (HB). However, due to its multiple targets and multi-pharmacological effects, the mechanisms of YGL capsule in the treatment of HB are unknown.
First, the chemical constituents of YGL capsules were obtained from the Chinese medicine database, and YGL capsules were constructed. Second, active compounds were screened by the ADME model. The target fishing model was used to screen the corresponding targets of active compounds and to construct a compounds and compound targets network. Using human disease databases and literature mining, we systematically identified genes associated with HB, constructed disease-specific protein-protein interaction networks, and performed clustering and enrichment analyses of these networks. These networks were then merged to obtain a compound-disease target network, and cluster and enrichment analyses were performed on the compound-disease target network to acquire a compounds-disease targets-mechanism network and a clustering network.
We successfully built eight pharmacological network diagrams, including four primary networks and other network maps. The four dominating network maps included a HB disease-associated protein-protein interaction network, a YGL capsule compounds-target network, a YGL capsule ingredient target-HB disease target network, and a YGL-HB disease mechanism network. Other networks included a pathway of HB disease targets, the HB disease protein-protein interaction cluster analysis network, and the YGL-HB target clustering network.
This study successfully forecasted, illuminated, and confirmed the synergistic effects of HB disease molecules and discovered the potential of HB relevant targets, clusters, and target-related biological processes and signaling pathways. Our research not only provides theoretical support for the molecular and pharmacological mechanisms of YGL capsule in HB treatment, but also provides new research methods for the study of the other traditional Chinese medicinal compounds.
益肝灵（YGL）胶囊是一种由八种草药组成的中药制剂，已临床证明对乙型肝炎（HB）有良好的治疗效果。然而，由于其多靶点和多药效作用，YGL 胶囊治疗 HB 的机制尚不清楚。
首先，从中药数据库中获取 YGL 胶囊的化学成分，并构建 YGL 胶囊。其次，通过 ADME 模型筛选活性化合物。利用靶标钓鱼模型筛选活性化合物的相应靶标，构建化合物和化合物靶标网络。利用人类疾病数据库和文献挖掘，系统鉴定与 HB 相关的基因，构建疾病特异性蛋白质-蛋白质相互作用网络，并对这些网络进行聚类和富集分析。然后将这些网络合并，获得化合物-疾病靶标网络，并对化合物-疾病靶标网络进行聚类和富集分析，获得化合物-疾病靶标-机制网络和聚类网络。
成功构建了八个药理学网络图，包括四个主要网络图和其他网络图。四个主要网络图包括 HB 疾病相关蛋白-蛋白相互作用网络、YGL 胶囊化合物-靶标网络、YGL 胶囊成分靶标-HB 疾病靶标网络和 YGL-HB 疾病机制网络。其他网络包括 HB 疾病靶点通路、HB 疾病蛋白-蛋白相互作用聚类分析网络和 YGL-HB 靶标聚类网络。
本研究成功预测、阐明和验证了 HB 疾病分子的协同作用，并发现了 HB 相关靶标、聚类和靶标相关生物过程和信号通路的潜力。我们的研究不仅为 YGL 胶囊治疗 HB 的分子和药理学机制提供了理论支持，也为其他中药化合物的研究提供了新的研究方法。
