Discussion on the molecular mechanism of Qingre Kasen Keli in the treatment of renal edema based on network pharmacology and molecular docking
DUAN Yanfen1 ZHANG Dongning1 HOU Shuaihong2 MO Guoyan1 HAN Lintao1 HUANG Fang3 YIN Qiang1,2 LI Jingjing3
1.College of Pharmacy, Hubei University of Chinese Medicine, Hubei Province, Wuhan 430065, China;
2.Xinjiang Uygur Pharmaceutical Industry Company Limited, Xinjiang Uygur Autonomous Region, Urumqi 830026, China;
3.College of Basic Medical Sciences, Hubei University of Chinese Medicine, Hubei Province, Wuhan 430065, China
Abstract：Objective To investigate the molecular mechanism of Qingre Kasen Keli in the treatment of renal edema based on network pharmacology and molecular docking. Methods The active ingredients of Cichorii Herba in Qingre Kasen Keli were screened through the traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP) and related literatures. The targets of Qingre Kasen Keli were collected and matched with those targets related to renal edema. The “compound-targe-pathway” network was constructed by Cytoscape 3.7.0. R language was used for GO functional enrichment analysis and KEGG pathway enrichment analysis to predict its mechanism of action in the treatment of renal edema, and the effective compounds in Qingre Kasen Keli were molecule docking with the core targets. Results Thirty-five active ingredients were screened from Qingre Kasen Keli, involving 153 gene targets. It was found that they were mainly involved in PI3K-Akt, MAPK1, Ras, and Rap1 signaling pathway etc. in the treatment of renal edema through targets such as EGFR, KDR, MAPK3, IGF1R, AKT1, and GSK3B etc. The results of molecular docking showed that the selected active ingredients had strong binding ability to target. Conclusion The main active components, functional activities, mechanism of action and signal pathway of Qingre Kasen Keli in the treatment of renal edema are inferred by using network pharmacology research method, which provide theoretical support and ideas for further research in the future.
段艳芬1 张东宁1 侯帅红2 莫国艳1 韩林涛1 黄芳3 尹强1,2 李晶晶3. 基于网络药理学和分子对接探讨清热卡森颗粒治疗肾性水肿的分子机制[J]. 中国医药导报, 2021, 18(10): 26-30.
DUAN Yanfen1 ZHANG Dongning1 HOU Shuaihong2 MO Guoyan1 HAN Lintao1 HUANG Fang3 YIN Qiang1,2 LI Jingjing3. Discussion on the molecular mechanism of Qingre Kasen Keli in the treatment of renal edema based on network pharmacology and molecular docking. 中国医药导报, 2021, 18(10): 26-30.
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