{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,23]],"date-time":"2026-10-23T19:53:48Z","timestamp":1792785228988,"version":"4.5.0"},"reference-count":67,"publisher":"National Academy of Sciences","issue":"18","license":[{"start":{"date-parts":[[2023,4,24]],"date-time":"2023-04-24T00:00:00Z","timestamp":1682294400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["81830111"],"award-info":[{"award-number":["81830111"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Establishment of Sino-Austria &quot;Belt and Road&quot; Joint Laboratory on Traditional Chinese Medicine for Severe Infectious Diseases and Joint Research","award":["2020YFE0205100"],"award-info":[{"award-number":["2020YFE0205100"]}]},{"name":"The ability establishment of sustainable use for valuablee Chinese Medicine Resources","award":["2060302"],"award-info":[{"award-number":["2060302"]}]}],"content-domain":{"domain":["www.pnas.org"],"crossmark-restriction":true},"short-container-title":["Proc. Natl. Acad. Sci. U.S.A."],"published-print":{"date-parts":[[2023,5,2]]},"abstract":"<jats:p>\n                    The coronavirus disease 2019 (COVID-19) pandemic is an ongoing global health concern, and effective antiviral reagents are urgently needed. Traditional Chinese medicine theory-driven natural drug research and development (TCMT-NDRD) is a feasible method to address this issue as the traditional Chinese medicine formulae have been shown effective in the treatment of COVID-19. Huashi Baidu decoction (Q-14) is a clinically approved formula for COVID-19 therapy with antiviral and anti-inflammatory effects. Here, an integrative pharmacological strategy was applied to identify the antiviral and anti-inflammatory bioactive compounds from Q-14. Overall, a total of 343 chemical compounds were initially characterized, and 60 prototype compounds in Q-14 were subsequently traced in plasma using ultrahigh-performance liquid chromatography with quadrupole time-of-flight mass spectrometry. Among the 60 compounds, six compounds (magnolol, glycyrrhisoflavone, licoisoflavone A, emodin, echinatin, and quercetin) were identified showing a dose-dependent inhibition effect on the SARS-CoV-2 infection, including two inhibitors (echinatin and quercetin) of the main protease (M\n                    <jats:sup>pro<\/jats:sup>\n                    ), as well as two inhibitors (glycyrrhisoflavone and licoisoflavone A) of the RNA-dependent RNA polymerase (RdRp). Meanwhile, three anti-inflammatory components, including licochalcone B, echinatin, and glycyrrhisoflavone, were identified in a SARS-CoV-2-infected inflammatory cell model. In addition, glycyrrhisoflavone and licoisoflavone A also displayed strong inhibitory activities against cAMP-specific 3\u2032,5\u2032-cyclic phosphodiesterase 4 (PDE4). Crystal structures of PDE4 in complex with glycyrrhisoflavone or licoisoflavone A were determined at resolutions of 1.54\u00a0\u00c5 and 1.65\u00a0\u00c5, respectively, and both compounds bind in the active site of PDE4 with similar interactions. These findings will greatly stimulate the study of TCMT-NDRD against COVID-19.\n                  <\/jats:p>","DOI":"10.1073\/pnas.2301775120","type":"journal-article","created":{"date-parts":[[2023,4,24]],"date-time":"2023-04-24T15:12:52Z","timestamp":1682349172000},"update-policy":"https:\/\/doi.org\/10.1073\/pnas.cm10313","source":"Crossref","is-referenced-by-count":134,"title":["Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19"],"prefix":"10.1073","volume":"120","author":[{"given":"Haiyu","family":"Xu","sequence":"first","affiliation":[{"name":"Institute of Chinese Materia Medica, Academy of Chinese Medical Sciences, Beijing 100700, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shufen","family":"Li","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Virology, Center for Antiviral Research, Wuhan Institute of Virology, Chinese Academy of Sciences, Wuhan 430207, 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Int. J. Phytothera. Phytopharmacol. 95, 153868 (2022).","journal-title":"Phytomed. Int. J. Phytothera. 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L.","year":"2021","unstructured":"W. L. Wei , Chemical profiling of Huashi Baidu prescription, an effective anti-COVID-19 TCM formula, by UPLC-Q-TOF\/MS. Chinese J. Nat Med. 19, 473\u2013480 (2021).","journal-title":"Chinese J. 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Olson, AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J. Comput. Chem. 31, 455\u2013461 (2010).","journal-title":"J. Comput. 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