{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,22]],"date-time":"2026-09-22T00:28:40Z","timestamp":1790036920657,"version":"4.0.1"},"reference-count":55,"publisher":"American Chemical Society (ACS)","issue":"22","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Med. Chem."],"published-print":{"date-parts":[[2005,11,1]]},"DOI":"10.1021\/jm0501782","type":"journal-article","created":{"date-parts":[[2005,10,27]],"date-time":"2005-10-27T04:21:39Z","timestamp":1130386899000},"page":"6832-6842","source":"Crossref","is-referenced-by-count":50,"title":["A New Lead for Nonpeptidic Active-Site-Directed Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus Main Protease Discovered by a Combination of Screening and Docking Methods"],"prefix":"10.1021","volume":"48","author":[{"given":"Ulrich","family":"Kaeppler","sequence":"first","affiliation":[{"name":"Institute of Pharmacy and Food Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Department of Physiological Chemistry II, Theodor-Boveri-Institute, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Institute of Organic Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, and Institute of Virology and Immunology, University of W\u00fcrzburg, Versbacher Strasse 7, D-97078 W\u00fcrzburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nikolaus","family":"Stiefl","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy and Food Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Department of Physiological Chemistry II, Theodor-Boveri-Institute, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Institute of Organic Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, and Institute of Virology and Immunology, University of W\u00fcrzburg, Versbacher Strasse 7, D-97078 W\u00fcrzburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Markus","family":"Schiller","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy and Food Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Department of Physiological Chemistry II, Theodor-Boveri-Institute, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Institute of Organic Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, and Institute of Virology and Immunology, University of W\u00fcrzburg, Versbacher Strasse 7, D-97078 W\u00fcrzburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Radim","family":"Vicik","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy and Food Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Department of Physiological Chemistry II, Theodor-Boveri-Institute, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Institute of Organic Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, and Institute of Virology and Immunology, University of W\u00fcrzburg, Versbacher Strasse 7, D-97078 W\u00fcrzburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alexander","family":"Breuning","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy and Food Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Department of Physiological Chemistry II, Theodor-Boveri-Institute, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Institute of Organic Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, and Institute of Virology and Immunology, University of W\u00fcrzburg, Versbacher Strasse 7, D-97078 W\u00fcrzburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Werner","family":"Schmitz","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy and Food Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Department of Physiological Chemistry II, Theodor-Boveri-Institute, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Institute of Organic Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, and Institute of Virology and Immunology, University of W\u00fcrzburg, Versbacher Strasse 7, D-97078 W\u00fcrzburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daniel","family":"Rupprecht","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy and Food Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Department of Physiological Chemistry II, Theodor-Boveri-Institute, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Institute of Organic Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, and Institute of Virology and Immunology, University of W\u00fcrzburg, Versbacher Strasse 7, D-97078 W\u00fcrzburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Carsten","family":"Schmuck","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy and Food Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Department of Physiological Chemistry II, Theodor-Boveri-Institute, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Institute of Organic Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, and Institute of Virology and Immunology, University of W\u00fcrzburg, Versbacher Strasse 7, D-97078 W\u00fcrzburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Knut","family":"Baumann","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy and Food Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Department of Physiological Chemistry II, Theodor-Boveri-Institute, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Institute of Organic Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, and Institute of Virology and Immunology, University of W\u00fcrzburg, Versbacher Strasse 7, D-97078 W\u00fcrzburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"John","family":"Ziebuhr","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy and Food Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Department of Physiological Chemistry II, Theodor-Boveri-Institute, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Institute of Organic Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, and Institute of Virology and Immunology, University of W\u00fcrzburg, Versbacher Strasse 7, D-97078 W\u00fcrzburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tanja","family":"Schirmeister","sequence":"additional","affiliation":[{"name":"Institute of Pharmacy and Food Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Department of Physiological Chemistry II, Theodor-Boveri-Institute, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, Institute of Organic Chemistry, University of W\u00fcrzburg, Am Hubland, D-97074 W\u00fcrzburg, Germany, and Institute of Virology and Immunology, University of W\u00fcrzburg, Versbacher Strasse 7, D-97078 W\u00fcrzburg, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2005,10,1]]},"reference":[{"key":"jm0501782b00001\/jm0501782b00001_1","first-page":"856","volume-title":"Topley and Wilson's Microbiology and Microbial Infections","volume":"1","author":"Siddell S. G.","year":"2005","edition":"10"},{"key":"jm0501782b00002\/jm0501782b00002_1","first-page":"376","volume-title":"The Coronaviridae","author":"Enjuanes L.","year":"1995"},{"key":"jm0501782b00003\/jm0501782b00003_1","doi-asserted-by":"crossref","first-page":"1976","DOI":"10.1056\/NEJMoa030747","volume":"348","author":"Drosten C.","year":"2003","journal-title":"N. Engl. J. Med."},{"key":"jm0501782b00004\/jm0501782b00004_1","doi-asserted-by":"crossref","first-page":"1966","DOI":"10.1056\/NEJMoa030781","volume":"348","author":"Ksiazek T. G.","year":"2003","journal-title":"N. Engl. J. Med."},{"key":"jm0501782b00005\/jm0501782b00005_1","doi-asserted-by":"crossref","first-page":"1325","DOI":"10.1016\/S0140-6736(03)13078-4","volume":"361","author":"Peiris J. S.","year":"2003","journal-title":"Lancet"},{"key":"jm0501782b00006\/jm0501782b00006_1","doi-asserted-by":"crossref","first-page":"278","DOI":"10.1126\/science.1087139","volume":"302","author":"Guan Y.","year":"2003","journal-title":"Science"},{"key":"jm0501782b00007\/jm0501782b00007_1","doi-asserted-by":"crossref","first-page":"2441","DOI":"10.1056\/NEJMra032498","volume":"349","author":"Peiris J. S.","year":"2003","journal-title":"N. Engl. J. Med."},{"key":"jm0501782b00008\/jm0501782b00008_1","doi-asserted-by":"crossref","first-page":"419","DOI":"10.1016\/j.mib.2004.06.007","volume":"7","author":"Ziebuhr J","year":"2004","journal-title":"Curr. Opin. Microbiol."},{"key":"jm0501782b00009\/jm0501782b00009_1","first-page":"94","volume":"287","author":"Ziebuhr J","year":"2005","journal-title":"Curr. Top. Microbiol. Immunol."},{"key":"jm0501782b00010\/jm0501782b00010_1","doi-asserted-by":"crossref","first-page":"879","DOI":"10.1099\/0022-1317-81-4-853","volume":"81","author":"Ziebuhr J.","year":"2000","journal-title":"J. Gen. Virol."},{"key":"jm0501782b00011\/jm0501782b00011_1","doi-asserted-by":"crossref","first-page":"3224","DOI":"10.1093\/emboj\/cdf327","volume":"21","author":"Anand K.","year":"2002","journal-title":"EMBO J."},{"key":"jm0501782b00012\/jm0501782b00012_1","doi-asserted-by":"crossref","first-page":"1767","DOI":"10.1126\/science.1085658","volume":"300","author":"Anand K.","year":"2003","journal-title":"Science"},{"key":"jm0501782b00013\/jm0501782b00013_1","first-page":"13195","volume":"100","author":"Yang H.","year":"2003","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"jm0501782b00014\/jm0501782b00014_1","first-page":"490","volume":"26","author":"Liu B.","year":"2005","journal-title":"J. Comput. Chem."},{"key":"jm0501782b00015\/jm0501782b00015_1","doi-asserted-by":"crossref","first-page":"378","DOI":"10.1016\/j.bbrc.2004.06.155","volume":"321","author":"Rajnarayanan R. V.","year":"2004","journal-title":"Biochem. Biophys. Res. Commun."},{"key":"jm0501782b00016\/jm0501782b00016_1","first-page":"151","volume":"308","author":"Chou K.-C.","year":"2003","journal-title":"Biochem. Biophys. Res. Commun."},{"key":"jm0501782b00017\/jm0501782b00017_1","doi-asserted-by":"crossref","first-page":"3992","DOI":"10.1016\/j.bmcl.2003.08.066","volume":"13","author":"Jenwitheesuk E.","year":"2003","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"jm0501782b00018\/jm0501782b00018_1","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1016\/j.ejmech.2004.09.013","volume":"40","author":"Zhang X. W.","year":"2005","journal-title":"Eur. J. Med. Chem."},{"key":"jm0501782b00019\/jm0501782b00019_1","first-page":"270","volume":"337","author":"Du Q.","year":"2005","journal-title":"Anal. Biochem."},{"key":"jm0501782b00020\/jm0501782b00020_1","first-page":"504","volume":"24","author":"Xiong B.","year":"2003","journal-title":"Acta Pharm. Sin."},{"key":"jm0501782b00021\/jm0501782b00021_1","first-page":"2521","volume":"12","author":"Zhang X.-W.","year":"2004","journal-title":"Bioorg. Med. Chem."},{"key":"jm0501782b00022\/jm0501782b00022_1","doi-asserted-by":"crossref","first-page":"1080","DOI":"10.1021\/jm034137m","volume":"47","author":"Toney J. H.","year":"2004","journal-title":"J. Med. Chem."},{"key":"jm0501782b00023\/jm0501782b00023_1","first-page":"10017","volume":"101","author":"Wu C. Y.","year":"2004","journal-title":"Proc. Nat. Acad. Sci. U.S.A."},{"key":"jm0501782b00024\/jm0501782b00024_1","doi-asserted-by":"crossref","first-page":"1453","DOI":"10.1016\/j.chembiol.2004.08.011","volume":"11","author":"Blanchard J. E.","year":"2004","journal-title":"Chem. Biol."},{"key":"jm0501782b00025\/jm0501782b00025_1","first-page":"330","volume":"576","author":"Kao R. Y.","year":"2004","journal-title":"FEBS Lett."},{"key":"jm0501782b00026\/jm0501782b00026_1","first-page":"120","volume":"574","author":"Hsu J. T.-A.","year":"2004","journal-title":"FEBS Lett."},{"key":"jm0501782b00027\/jm0501782b00027_1","doi-asserted-by":"crossref","first-page":"4912","DOI":"10.1021\/bi0361766","volume":"43","author":"Bacha U.","year":"2004","journal-title":"Biochemistry"},{"key":"jm0501782b00028\/jm0501782b00028_1","doi-asserted-by":"crossref","first-page":"11007","DOI":"10.1073\/pnas.96.20.11000","volume":"96","author":"Matthews D. A.","year":"1999","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"jm0501782b00030\/jm0501782b00030_1","first-page":"596","volume":"3","author":"Schirmeister T.","year":"2003","journal-title":"Mini-Rev. Med. Chem."},{"key":"jm0501782b00031\/jm0501782b00031_1","doi-asserted-by":"crossref","first-page":"4750","DOI":"10.1021\/cr010182v","volume":"102","author":"Powers J. C.","year":"2002","journal-title":"Chem. Rev."},{"key":"jm0501782b00032\/jm0501782b00032_1","first-page":"248","volume":"54","author":"Ro S.","year":"1999","journal-title":"J. Pept. Res."},{"key":"jm0501782b00033\/jm0501782b00033_1","first-page":"63","volume":"2","author":"Sprague J. M.","year":"1986","journal-title":"Top. Med. Chem."},{"key":"jm0501782b00034\/jm0501782b00034_1","doi-asserted-by":"crossref","first-page":"370","DOI":"10.2174\/1573406054368701","volume":"1","author":"Kaeppler U.","year":"2005","journal-title":"Med. Chem."},{"key":"jm0501782b00035\/jm0501782b00035_1","author":"Martina E.","year":"2005","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"jm0501782b00036\/jm0501782b00036_1","doi-asserted-by":"crossref","first-page":"3997","DOI":"10.1128\/jvi.71.5.3992-3997.1997","volume":"71","author":"Ziebuhr J.","year":"1997","journal-title":"J. Virol."},{"key":"jm0501782b00037\/jm0501782b00037_1","first-page":"599","volume":"83","author":"Hegyi A.","year":"2002","journal-title":"J. Gen. Virol."},{"key":"jm0501782b00039\/jm0501782b00039_1","volume-title":"version 1.12","author":"Flex X","year":"2003"},{"key":"jm0501782b00040\/jm0501782b00040_1","volume-title":"\u201cbest","author":"In"},{"key":"jm0501782b00045\/jm0501782b00045_1","first-page":"18","volume":"356","author":"Wang Q. M.","year":"1998","journal-title":"Arch. Biochem. Biophys."},{"key":"jm0501782b00047\/jm0501782b00047_1","unstructured":"Rang, H. P.; Dale, M. M.; Ritter, J. M.; Moore, P. K.Pharmacology, 5th ed.; Churchill Livingstone:\u2009 Edinburgh, U.K., 2003; p 362."},{"key":"jm0501782b00048\/jm0501782b00048_1","doi-asserted-by":"crossref","first-page":"1029","DOI":"10.1124\/jpet.103.059139","volume":"308","author":"Hasannejad H.","year":"2004","journal-title":"J. Pharmacol. Exp. Ther."},{"key":"jm0501782b00049\/jm0501782b00049_1","doi-asserted-by":"crossref","first-page":"2315","DOI":"10.1099\/vir.0.19424-0","volume":"84","author":"Thiel V.","year":"2003","journal-title":"J. Gen. Virol."},{"key":"jm0501782b00050\/jm0501782b00050_1","first-page":"335","volume":"267","author":"Liu Y.","year":"1999","journal-title":"Anal. Biochem."},{"key":"jm0501782b00052\/jm0501782b00052_1","unstructured":"GraFit; Erithacus Software Ltd.\u2009 London, 1994."},{"key":"jm0501782b00053\/jm0501782b00053_1","first-page":"551","volume":"547","author":"Diago-Meseguer J.","year":"1980","journal-title":"Synthesis"},{"key":"jm0501782b00054\/jm0501782b00054_1","doi-asserted-by":"crossref","first-page":"1388","DOI":"10.1039\/jr9320001388","volume":"1380","author":"Robertson A","year":"1932","journal-title":"J. Chem. Soc., Abstr."},{"key":"jm0501782b00055\/jm0501782b00055_1","first-page":"291","volume":"280","author":"Coulthard C. E.","year":"1930","journal-title":"J. Chem. Soc., Abstr."},{"key":"jm0501782b00056\/jm0501782b00056_1","first-page":"1038","volume":"1034","author":"Buu-Hoi N P","year":"1954","journal-title":"J. Chem. Soc."},{"key":"jm0501782b00057\/jm0501782b00057_1","first-page":"1363","volume":"224","author":"Nguyen H.","year":"1947","journal-title":"C. R. Hebd. Seances Acad. Sci."},{"key":"jm0501782b00058\/jm0501782b00058_1","first-page":"859","volume":"37","author":"Pinchuk A. M.","year":"1967","journal-title":"Zh. Obshch. Khim."},{"key":"jm0501782b00059\/jm0501782b00059_1","first-page":"1239","volume":"85","author":"Ziegler E.","year":"1954","journal-title":"Monatsh. Chem."},{"key":"jm0501782b00060\/jm0501782b00060_1","volume-title":"Procede de photographie en couleurs et nouveaux produits pour sa mise en oeuvre (Procedure for color photography and new products for its implementation). Patent BE 560859","author":"Feniak G.","year":"1957"},{"key":"jm0501782b00061\/jm0501782b00061_1","first-page":"525","volume":"8","author":"Pawar R. A.","year":"1970","journal-title":"Indian J. Chem."},{"key":"jm0501782b00062\/jm0501782b00062_1","volume-title":"version 6.9","author":"SYBYL","year":"2001"},{"key":"jm0501782b00063\/jm0501782b00063_1","volume-title":"Design of wide-spectrum inhibitors targeting coronavirus main proteases. PLOS Biol","author":"Yang H.","year":"2005"}],"container-title":["Journal of Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jm0501782","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,24]],"date-time":"2023-03-24T16:39:01Z","timestamp":1679675941000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jm0501782"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2005,10,1]]},"references-count":55,"journal-issue":{"issue":"22","published-print":{"date-parts":[[2005,11,1]]}},"alternative-id":["10.1021\/jm0501782"],"URL":"https:\/\/doi.org\/10.1021\/jm0501782","relation":{},"ISSN":["0022-2623","1520-4804"],"issn-type":[{"value":"0022-2623","type":"print"},{"value":"1520-4804","type":"electronic"}],"subject":[],"published":{"date-parts":[[2005,10,1]]}}}