Li Taiping, Qiu Tian, Zeng Yanyan, Kang Bing, Tang Xianglong, Yang Ning, Xiao Hong
Department of Neuro-Psychiatric Institute, The Affiliated Nanjing Brain Hospital of Nanjing Medical University, Nanjing 210029, China.
Department of Pharmacy, The Affiliated Nanjing Brain Hospital of Nanjing Medical University, Nanjing 210029, China.
Evid Based Complement Alternat Med. 2022 Aug 22;2022:3321099. doi: 10.1155/2022/3321099. eCollection 2022.
Shu Gan Jie Yu (SGJY) capsule has a good effect on relieving depressive symptoms in China. However, the mechanism of action is still unclear. Therefore, systemic pharmacology and molecular docking approaches were used to clarify its corresponding antidepressant mechanisms.
Traditional Chinese Medicine Database and Analysis Platform (TCMSP), the Encyclopedia of Traditional Chinese Medicine (ETCM), and Swiss Target Prediction servers were used to screen and predict the bioactive components of the capsule and their antidepressive targets. Mild to moderate depression (MMD) related genes were obtained from GeneCards and DisGeNET databases. A network of bioactive components-therapeutic targets of the capsule was established by STRING 11.5 and Cytoscape 3.9.0 software. Gene function and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed by utilizing Database for Annotation, Visualization, and Integrated Discovery (DAVID) platform. Active components were taken to dock with the hypothetical proteins by iGEMDOCK and SwissDock, and the docking details were visually displayed by UCSF Chimera software. Then, the related research literature of the capsule was reviewed, summarized, sorted, and analyzed, including experimental evidence and clinical experience.
Seven active components and 45 intersection targets were included in the study. PPI network had genuinely uncovered the potential therapeutic targets, such as and . KEGG pathway analysis showed that the mechanism of the capsule on MMD was mainly involved in the PI3K-Akt signaling pathway.
In this study, we have successfully predicted the biochemically active constituents, potential therapeutic targets, and comprehensively predicted the related drug-gene interaction of the capsule for treating MMD and provided a basis for subsequent experiments.
疏肝解郁（SGJY）胶囊在中国对缓解抑郁症状有良好效果。然而，其作用机制仍不清楚。因此，采用系统药理学和分子对接方法来阐明其相应的抗抑郁机制。
利用中药数据库与分析平台（TCMSP）、《中药大辞典》（ETCM）和瑞士靶点预测服务器筛选并预测该胶囊的生物活性成分及其抗抑郁靶点。从GeneCards和DisGeNET数据库中获取轻至中度抑郁症（MMD）相关基因。通过STRING 11.5和Cytoscape 3.9.0软件建立该胶囊生物活性成分-治疗靶点网络。利用注释、可视化和综合发现数据库（DAVID）平台进行基因功能和京都基因与基因组百科全书（KEGG）通路富集分析。通过iGEMDOCK和SwissDock将活性成分与假设蛋白进行对接，并通过UCSF Chimera软件直观显示对接细节。然后，对该胶囊的相关研究文献进行综述、总结、整理和分析，包括实验证据和临床经验。
该研究纳入了7种活性成分和45个交集靶点。蛋白质-蛋白质相互作用（PPI）网络真正揭示了潜在的治疗靶点，如[具体靶点1]和[具体靶点2]。KEGG通路分析表明，该胶囊治疗MMD的机制主要涉及PI3K-Akt信号通路。
在本研究中，我们成功预测了该胶囊治疗MMD的生物活性成分、潜在治疗靶点，并全面预测了相关的药物-基因相互作用，为后续实验提供了依据。
