Study on the mechanism of Chaihu Guizhi Decoction in the treatment of depression based on network pharmacology and molecular docking technology#br#
LAN Shaohang1 LUO Jun1,2 LI Nana1 LUO Yehao1 CHEN Qiuxia1 CHEN Jingqin1 LI Hongyi1 FANG Gang1,3
1.Key Laboratory of Applied Basic Research of Guangxi Zhuang Medicine, Guangxi University of Chinese Medicine, Guangxi Zhuang Autonomous Region, Nanning 530001, China;
2.Modern Educational Technology and Information Center, Guangxi University of Chinese Medicine, Guangxi Zhuang Autonomous Region, Nanning 530200, China;
3.Guoyitang, Ruikang Hospital Affiliated to Guangxi University of Chinese Medicine, Guangxi Zhuang Autonomous Region, Nanning 530011, China
Abstract：Objective To study the mechanism of Chaihu Guizhi Decoction in the treatment of depression by network pharmacology and molecular docking technology. Methods Traditional Chinese medicine systems pharmacology database and analysis platform was used to collect the main chemical components and targets of nine traditional Chinese medicines in Chaihu Guizhi Decoction. Depression related targets were obtained from GeneCards, pharmacogenomics knowledgebase, online Mendelian inheritance in man, DrugBank, TTD, and other databases. Proteinprotein interaction network of potential targets was constructed by using STRING online platform, and GO functional enrichment analysis and KEGG pathway analysis were obtained by R language. The “active component-disease target” network was constructed and topologically analyzed by Cytoscape3.7.2. Finally, AutoDock vina and other software were used to verify the molecular docking between the active ingredients with high network intermediate value and the core target. Results A total of 154 chemical constituents including quercetin and kaempferol were screened and 250 related targets were identified, among which the key targets were JUN, Akt1, and ESR1. A total of 2900 enrichment results were obtained by GO functional enrichment analysis, which mainly involved the regulation of biological processes such as lipopolysaccharide response and oxidative stress response. A total of 170 pathways were enriched by KEGG pathway analysis, mainly involving MAPK signaling pathway, PI3K-Akt signaling pathway, etc. The molecular docking results showed that the main active ingredients had strong binding ability with the core target. Conclusion This study preliminarily shows that Chaihu Guizhi Decoction plays a synergistic role in the treatment of depression through multiple components, multiple targets and multiple pathways.
蓝绍航1 罗俊1,2 李娜娜1 罗业浩1 陈秋霞1 陈静芹1 李宏一1 方刚1. 基于网络药理学和分子对接技术研究柴胡桂枝汤治疗抑郁症的作用机制[J]. 中国医药导报, 2021, 18(31): 22-27.
LAN Shaohang1 LUO Jun1,2 LI Nana1 LUO Yehao1 CHEN Qiuxia1 CHEN Jingqin1 LI Hongyi1 FANG Gang1,3. Study on the mechanism of Chaihu Guizhi Decoction in the treatment of depression based on network pharmacology and molecular docking technology#br#. 中国医药导报, 2021, 18(31): 22-27.
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