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In the present study, an integrated strategy based on chemical profiling followed by network pharmacology and molecular docking was employed, to explore the active components and potential molecular mechanisms of Qishen Gubiao granules in the therapy of coronavirus disease 2019. Using the ultra\u2010high performance liquid chromatography coupled with quadrupole time\u2010of\u2010flight mass spectrometry technique, a total of 186 ingredients corresponding to eight structure types in Qishen Gubiao preparation were identified or structurally annotated with the elucidation of the fragmentation pathways in the typical compounds. The network pharmacology analysis screened 28 key compounds including quercetin, apigenin, scutellarein, luteolin and naringenin acting on 31 key targets, which possibly modulated signal pathways associated with immune and inflammatory responses in the treatment of coronavirus disease 2019. The molecular docking results observed that the top 5 core compounds had a high affinity for angiotensin\u2010converting enzyme 2 and 3\u2010chymotrypsin\u2010like protease. This study proposed a reliable and feasible approach for elucidating the multi\u2010components, multi\u2010targets, and multi\u2010pathways intervention mechanism of Qishen Gubiao granules against coronavirus disease 2019, providing a scientific basis for its further quality evaluation and clinical application.<\/jats:p>","DOI":"10.1002\/jssc.202200953","type":"journal-article","created":{"date-parts":[[2023,3,11]],"date-time":"2023-03-11T04:49:50Z","timestamp":1678510190000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["An integrated approach of high\u2010performance liquid chromatography\u2013mass spectrometry\u2010based chemical profiling, network pharmacology, and molecular docking to reveal the potential mechanisms of Qishen Gubiao granules for treating coronavirus disease 2019"],"prefix":"10.1002","volume":"46","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6617-9689","authenticated-orcid":false,"given":"Shu\u2010Yun","family":"Yang","sequence":"first","affiliation":[{"name":"Department of Clinical Pharmacology Jiangsu Province Hospital of Chinese Medicine, Affiliated Hospital of Nanjing University of Chinese Medicine  Nanjing P.\u00a0R. 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