Network Pharmacology-based Analysis on Determining the Mechanisms of Yishen Qutong Granules(益肾祛痛颗粒)in Alleviating Cancer-related Fatigue

作者：李淏; 刘丽星; 常金圆; 陈佳阳; 张庆林; 冯利^*

来源：世界中西医结合杂志(英文), 2022, 8(05): 32-39.

Cancer-related fatigue(CRF) is associated with cancer-related anemia(CRA). As the common comorbidities of cancer, both of them can seriously affect the quality of patient life. Yishen Qutong Granules(益肾祛痛颗粒, YSQTG) have achieved good curative effects in the treatment of CRA. However, the mechanism of whether it can alleviate CRF needs further confirmation. We used network pharmacology and molecular docking to investigate the molecular mechanism and the effective compounds of the prescription. Through the analysis and research in this paper, we obtained 76 effective compounds and 76 drug-disease intersection targets to construct a network, indicating that quercetin, luteolin, baicalein, β-sitosterol and stigmasterol were possibly the most important compounds in YSQTG. The key targets of YSQTG for CRF were mainly enriched in IL-17 and TNF pathways. 816 GO entries and 113 pathways were obtained by GO and KEGG enrichment, respectively, which proved that YSQTG might have a comprehensive therapeutic effect on CRF mainly through regulating IL-17, TNF, MAPK, NF-κB and chemokines, as well as cholinergic synapse and 5-HT synapse pathways. The results of molecular docking showed that β-sitosterol and stigmasterol could form PI-Alkyl or Alkyl hydrophobic interactions with CXCL8 and ESR1 at residues LEU25, ARG26, PHE65, ALA69 and LEU346, ALA350, LEU391, PHE404, LEU525, VAL533, respectively. In conclusion, the therapeutic effect of YSQTG on CRF is based on the comprehensive pharmacological effect of multicomponent, multitarget, and multichannel pathways. This study provides a theoretical basis for further experimental research.

• 单位
  北京中医药大学; 北京协和医学院; 中国医学科学院北京协和医院