NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2021, Vol. 33 ›› Issue (增刊1): 70-80. doi: 10.16333/j.1001-6880.2021.S.009

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Study on the mechanism of artesunatum-puerarin combination in interventing COVID-19 cardiovascular complications based on network pharmacology

DENG Shuo-qiu1,2,TIAN Ya1,2,CHEN Li-na1,2,SHEN Shuo1,2,YANG Yuan-min1,2,ZHANG Yu1,2,QU Shui-qing1,3,ZHENG Zhong-yuan1,2,LIU Hui1,3,WANG Xi1,4,LI Hong-mei1*,LI Yu-jie1,2*
  

  1. 1Institute of Chinese Materia Medica,China Academy of Chinese Medical Sciences,Beijing 100702,China;2Artemisinin Research Center,China Academy of Chinese Medical Sciences,Beijing 100700,China;3School of Traditional Chinese Medicine,Guangdong Pharmaceutical University,Guangzhou 510006,China; 4School of Pharmacy,Shanxi Medical University,Taiyuan 030001,China

  • Online:2021-08-28 Published:2021-09-08

Abstract:

More than 50 million confirmed coronavirus disease 2019 (COVID-19)-related cases have been reported across the world.There is high incidence of cardiovascular complication and a high mortality rate among patients.This study aims to predict and explore the potential pathways and mechanistic targets of artesunate-puerarin combination in the intervention of COVID-19 cardiovascular injury through network pharmacology and molecular docking.Firstly,the related targets of SARS-CoV 2 were collected from GenCards and UniProt.And the related targets of Artesunate and Puerarin were collected and predicted from TCMSP and Swiss target prediction.Secondly,protein-protein interaction of common targets was analyzed by STRING.GO and KEGG enrichment analysis were performed by DAVID.At last,Vina was used for molecular docking of compounds and key targets including ACE2,TMPRSS2,SARS-CoV-2 3CL hydrolase and S protein.A total of 16 key targets were collected.GO enrichment analysis collected 100 biological processes,14 cell compounds and 32 molecular functions (P<0.05).According to the results,Artesunate and Puerarin may regulate the body processes through multiple targets and pathways.We predicted that,on the one hand,two monomer compositions may prevent the process of virus invasion and proliferation.On the other hand,they can also inhibit cytokine storm and protect cardiovascular from injury.Two compositions play a role on protection of COVID-19 cardiovascular damage.Based on these results,we obtained the potential protection mechanisms of Artesunate-Puerarin combination,which would laid a solid foundation for the subsequent development and research,and provide the basis for expanding clinical existing treatments and reference.

Key words: artesunatum, puerarin, SARS-CoV-2, COVID-19, heart injury, network pharmacology

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