{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,10]],"date-time":"2026-06-10T10:04:00Z","timestamp":1781085840589,"version":"3.54.1"},"reference-count":109,"publisher":"Public Library of Science (PLoS)","issue":"12","license":[{"start":{"date-parts":[[2011,12,22]],"date-time":"2011-12-22T00:00:00Z","timestamp":1324512000000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["www.ploscompbiol.org"],"crossmark-restriction":false},"short-container-title":["PLoS Comput Biol"],"abstract":"<jats:p>\n                    The H1N1 influenza pandemic of 2009 has claimed over 18,000 lives. During this pandemic, development of drug resistance further complicated efforts to control and treat the widespread illness. This research utilizes traditional Chinese medicine\n                    <jats:email xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:type=\"simple\">Database@Taiwan<\/jats:email>\n                    (TCM\n                    <jats:email xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" xlink:type=\"simple\">Database@Taiwan<\/jats:email>\n                    ) to screen for compounds that simultaneously target H1 and N1 to overcome current difficulties with virus mutations. The top three candidates were\n                    <jats:italic>de novo<\/jats:italic>\n                    derivatives of xylopine and rosmaricine. Bioactivity of the\n                    <jats:italic>de novo<\/jats:italic>\n                    derivatives against N1 were validated by multiple machine learning prediction models. Ability of the\n                    <jats:italic>de novo<\/jats:italic>\n                    compounds to maintain CoMFA\/CoMSIA contour and form key interactions implied bioactivity within H1 as well. Addition of a pyridinium fragment was critical to form stable interactions in H1 and N1 as supported by molecular dynamics (MD) simulation. Results from MD, hydrophobic interactions, and torsion angles are consistent and support the findings of docking. Multiple anchors and lack of binding to residues prone to mutation suggest that the TCM\n                    <jats:italic>de novo<\/jats:italic>\n                    derivatives may be resistant to drug resistance and are advantageous over conventional H1N1 treatments such as oseltamivir. These results suggest that the TCM\n                    <jats:italic>de novo<\/jats:italic>\n                    derivatives may be suitable candidates of dual-targeting drugs for influenza.\n                  <\/jats:p>","DOI":"10.1371\/journal.pcbi.1002315","type":"journal-article","created":{"date-parts":[[2011,12,22]],"date-time":"2011-12-22T16:40:14Z","timestamp":1324572014000},"page":"e1002315","update-policy":"https:\/\/doi.org\/10.1371\/journal.pcbi.corrections_policy","source":"Crossref","is-referenced-by-count":76,"title":["RETRACTED: Two Birds with One Stone? Possible Dual-Targeting H1N1 Inhibitors from Traditional Chinese Medicine"],"prefix":"10.1371","volume":"7","author":[{"given":"Su-Sen","family":"Chang","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hung-Jin","family":"Huang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Calvin Yu-Chian","family":"Chen","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"340","published-online":{"date-parts":[[2011,12,22]]},"reference":[{"key":"pcbi.1002315-World1","unstructured":"World Health Organization 2009 WHO statement: World now at the start of 2009 influenza pandemic. Available at http:\/\/www.who.int\/mediacentre\/news\/statements\/2009\/h1n1_pandemic_phase6_20090611\/en\/index.html Accessed 5 July 2011"},{"key":"pcbi.1002315-World2","unstructured":"World Health Organization 2010 Pandemic (H1N1) 2009-Update 112. WHO Global Alert and Response, Weekly Update Available at http:\/\/www.who.int\/csr\/don\/2010_08_06\/en\/index.html Accessed 5 July 2011"},{"key":"pcbi.1002315-Uyeki1","doi-asserted-by":"crossref","first-page":"e110","DOI":"10.1056\/NEJMopv0910738","article-title":"Antiviral treatment for patients hospitalized with 2009 pandemic influenza A (H1N1).","volume":"361","year":"2009","journal-title":"N Engl J Med"},{"key":"pcbi.1002315-Layne1","doi-asserted-by":"crossref","first-page":"1560","DOI":"10.1126\/science.323.5921.1560","article-title":"Pandemic influenza: an inconvenient mutation.","volume":"323","year":"2009","journal-title":"Science"},{"key":"pcbi.1002315-Nicholson1","doi-asserted-by":"crossref","first-page":"1845","DOI":"10.1016\/S0140-6736(00)02288-1","article-title":"Efficacy and safety of oseltamivir in treatment of acute influenza: A randomised controlled trial. 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