{"title":"基于网络药理学和分子对接的苍术抗新冠肺炎作用机制","authors":"Jiachuan Lei, Yi-jun Tu, Jie Xu, Jianqing Yu","doi":"10.1051/wujns/2022274349","DOIUrl":null,"url":null,"abstract":"\nAtractylodes lancea (Thunb.) DC. (AL) has been proven to be effective in the treatment of coronavirus disease 2019 (COVID-19). In this study, TCMSP, TCMID, OMIM, GeneCards, PharmMapper and SwissTargetPrediction were used to collect potential targets for AL against COVID-19. The online STRING analysis platform and Cytoscape were used for generating a (protein-protein interaction) PPI network. The Cytoscape and Autodock software were used for determining hub genes and key compounds. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed via DAVID database. A total of 84 common targets were obtained. The antiviral pathways were main pathways in traetment. 10 hub genes and key compounds were screened by CytoHubba. We found that AL2, AL6 and AL38 had lower binding energy with key proteins. Our study demonstrated that AL might be used to treat COVID-19 by improving the \"cytokine storm\", regulating some antiviral pathways, and inhibiting the key protein through which the SARS-CoV-2 invades the host cell. These findings give a pharmacological basis and support for treating COVID-19 with AL.","PeriodicalId":23976,"journal":{"name":"Wuhan University Journal of Natural Sciences","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mechanisms of the Traditional Chinese Herb Atractylodes lancea against COVID-19 Based on Network Pharmacology and Molecular Docking\",\"authors\":\"Jiachuan Lei, Yi-jun Tu, Jie Xu, Jianqing Yu\",\"doi\":\"10.1051/wujns/2022274349\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\nAtractylodes lancea (Thunb.) DC. (AL) has been proven to be effective in the treatment of coronavirus disease 2019 (COVID-19). In this study, TCMSP, TCMID, OMIM, GeneCards, PharmMapper and SwissTargetPrediction were used to collect potential targets for AL against COVID-19. The online STRING analysis platform and Cytoscape were used for generating a (protein-protein interaction) PPI network. The Cytoscape and Autodock software were used for determining hub genes and key compounds. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed via DAVID database. A total of 84 common targets were obtained. The antiviral pathways were main pathways in traetment. 10 hub genes and key compounds were screened by CytoHubba. We found that AL2, AL6 and AL38 had lower binding energy with key proteins. Our study demonstrated that AL might be used to treat COVID-19 by improving the \\\"cytokine storm\\\", regulating some antiviral pathways, and inhibiting the key protein through which the SARS-CoV-2 invades the host cell. These findings give a pharmacological basis and support for treating COVID-19 with AL.\",\"PeriodicalId\":23976,\"journal\":{\"name\":\"Wuhan University Journal of Natural Sciences\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Wuhan University Journal of Natural Sciences\",\"FirstCategoryId\":\"1093\",\"ListUrlMain\":\"https://doi.org/10.1051/wujns/2022274349\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"Multidisciplinary\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Wuhan University Journal of Natural Sciences","FirstCategoryId":"1093","ListUrlMain":"https://doi.org/10.1051/wujns/2022274349","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Multidisciplinary","Score":null,"Total":0}
Mechanisms of the Traditional Chinese Herb Atractylodes lancea against COVID-19 Based on Network Pharmacology and Molecular Docking
Atractylodes lancea (Thunb.) DC. (AL) has been proven to be effective in the treatment of coronavirus disease 2019 (COVID-19). In this study, TCMSP, TCMID, OMIM, GeneCards, PharmMapper and SwissTargetPrediction were used to collect potential targets for AL against COVID-19. The online STRING analysis platform and Cytoscape were used for generating a (protein-protein interaction) PPI network. The Cytoscape and Autodock software were used for determining hub genes and key compounds. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed via DAVID database. A total of 84 common targets were obtained. The antiviral pathways were main pathways in traetment. 10 hub genes and key compounds were screened by CytoHubba. We found that AL2, AL6 and AL38 had lower binding energy with key proteins. Our study demonstrated that AL might be used to treat COVID-19 by improving the "cytokine storm", regulating some antiviral pathways, and inhibiting the key protein through which the SARS-CoV-2 invades the host cell. These findings give a pharmacological basis and support for treating COVID-19 with AL.
期刊介绍:
Wuhan University Journal of Natural Sciences aims to promote rapid communication and exchange between the World and Wuhan University, as well as other Chinese universities and academic institutions. It mainly reflects the latest advances being made in many disciplines of scientific research in Chinese universities and academic institutions. The journal also publishes papers presented at conferences in China and abroad. The multi-disciplinary nature of Wuhan University Journal of Natural Sciences is apparent in the wide range of articles from leading Chinese scholars. This journal also aims to introduce Chinese academic achievements to the world community, by demonstrating the significance of Chinese scientific investigations.