摘要
Objective:Applying Traditional Chinese Medicine(TCM)network pharmacology and molecular docking technology to explore the mechanism of anti-coronary virus pneumonia(Corona Virus Disease 2019,COVID-19)of Compound Qinlan oral liquid.Methods:Traditional Chinese Medicines Integrated Database(TCMID),Traditional Chinese Medicine Systems Pharmacology(TCMSP),OMIM,GeneCards,String and others online databases were used for building a series of networks,and selecting the core targets and analyzing the signal pathways.Finally,Discovery Studio 2016 software was used to conduct molecular docking of the main compounds(Chinese Medicine Legal Quality Control Compound)of Compound Qinlan oral liquid with key targets ACE2,3CLpro,etc.Results:the results showed that Compound Qinlan oral liquid has specific effects in lung,heart and stomach diseases.The Compound Qinlan oral liquid compound-pneumonia target network contained 98 compounds and 184 corresponding targets,and the core targets involved INS,TP53,IL6,VEGFA,ALB and JUN.GO(GeneOntology)function enrichment analysis yielded 653 GO entries,and KEGG(KyotoEncyclopedia of Genes and Genomes)enrichment screening yielded 112 related pathways,including hypoxia inducible factor-1(HIF-1)and Toll-like receptor(TLRs)signaling pathway related to pneumonia,as well as Influenza A signaling pathway and Hepatitis B signaling pathway related to microbial infection.The results of molecular docking show that Isochlorogenic acid C,Baicalein,etc have good binding capacity with ACE2,3CLpro,AKT1 and other proteins.Conclusion:In this paper,we preliminarily explored the potential therapeutic mechanism for Compound Qinlan oral liquid to against coronavirus pneumonia(COVID-19)and predicted the active ingredients.We hope that the results will help to further study on the active ingredients and mechanism of Compound Qinlan oral liquid for anti-COVID-19.
基金
the Key Science and Technology Research Projects of Tibet Autonomous Region of China(XZ201801-GA-16)
Special funds for guiding local scientific and technological development by the central government(2018ZYYD002).
作者简介
Wu Hao,Liu Chuanxin and Yang Yuwei make equal contribution to this paper;Correspondence to:Yikun Sun,PhD,School of Chinese Materia Medicine,Beijing University of Chinese Medicine,Yangguang South Street,Liangxiang University Town,Fangshan District,Beijing 102488,China.Email:sunyk@bucm.edu.cn;Correspondence to:Chenning Zhang,MD,Institute of Wudang Traditional Chinese Medicine,Taihe Hospital,Hubei University of Medicine,Renmin South Road 32,Shiyan 442000,China.Email:zhangcn1118@163.com。
