{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T23:37:32Z","timestamp":1788910652540,"version":"build-2803163510"},"reference-count":26,"publisher":"Wiley","issue":"11","license":[{"start":{"date-parts":[[2021,8,24]],"date-time":"2021-08-24T00:00:00Z","timestamp":1629763200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Archiv der Pharmazie"],"published-print":{"date-parts":[[2021,11]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Boswellic acids (BAs) have been shown to possess antiviral activity. Using bioinformatic methods, it was tested whether or not acetyl\u201011\u2010keto\u2010\u03b2\u2010boswellic acid (AKBA), 11\u2010keto\u2010\u03b2\u2010boswellic acid (KBA), \u03b2\u2010boswellic acid (BBA), and the phosphorylated active metabolite of Remdesivir\u00ae (RGS\u2010P3) bind to functional proteins of SARS\u2010CoV\u20102, that is, the replicase polyprotein P0DTD1, the spike glycoprotein P0DTC2, and the nucleoprotein P0DTC9. Using P0DTD1, AKBA and KBA showed micromolar binding affinity to the RNA\u2010dependent RNA polymerase (RdRp) and to the main proteinase complex M<jats:sup>pro<\/jats:sup>. Phosphorylated BAs even bond in the nanomolar range. Due to their positive and negative charges, BAs and RGS\u2010P3 bond to corresponding negative and positive areas of the protein. BAs and RGS\u2010P3 docked in the tunnel\u2010like cavity of RdRp. BAs also docked into the elongated surface rim of viral M<jats:sup>pro<\/jats:sup>. In both cases, binding occurred with active site amino acids in the lower micromolecular to upper nanomolar range. KBA, BBA, and RGS\u2010P3 also bond to P0DTC2 and P0DTC9. The binding energies for BAs were in the range of \u22125.8 to \u22126.3\u2009kcal\/mol. RGS\u2010P3 and BAs occluded the centrally located pore of the donut\u2010like protein structure of P0DTC9 and, in the case of P0DTC2, RGS\u2010P3 and BAs impacted the double\u2010wing\u2010like protein structure. The data of this bioinformatics study clearly show that BAs bind to three functional proteins of the SARS\u2010CoV\u20102 virus responsible for adhesion and replication, as does RGS\u2010P3, a drug on the market to treat this disease. The binding effectiveness of BAs can be increased through phosphate esterification. Whether or not BAs are druggable against the SARS\u2010CoV\u20102 disease remains to be established.<\/jats:p>","DOI":"10.1002\/ardp.202100160","type":"journal-article","created":{"date-parts":[[2021,8,24]],"date-time":"2021-08-24T11:35:31Z","timestamp":1629804931000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":16,"title":["Binding of boswellic acids to functional proteins of the SARS\u2010CoV\u20102 virus: Bioinformatic studies"],"prefix":"10.1002","volume":"354","author":[{"given":"Reinhard H.","family":"Caliebe","sequence":"first","affiliation":[{"name":"Department of R&amp;D NOVOHERBS UG (haftungsbeschr\u00e4nkt) &amp; Co. KG D\u00f6hlau Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thomas","family":"Scior","sequence":"additional","affiliation":[{"name":"Department of Pharmacy Benem\u00e9rita Universidad Aut\u00f3noma de Puebla Puebla Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hermann P. T.","family":"Ammon","sequence":"additional","affiliation":[{"name":"Department of Pharmacology, Toxicology, and Clinical Pharmacy, Institute of Pharmaceutical Sciences University of Tuebingen Tuebingen Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2021,8,24]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-319-41334-1_13"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/1099-1573(200011)14:7<510::AID-PTR646>3.0.CO;2-B"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.1002\/ptr.1858"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.antiviral.2015.11.007"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.phymed.2018.10.016"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btaa224"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.abb7498"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-019-10280-3"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2006.11.073"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-020-2223-y"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.antiviral.2020.104793"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20084"},{"key":"e_1_2_9_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0092-8674(04)00120-5"},{"key":"e_1_2_9_16_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0060272"},{"key":"e_1_2_9_17_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci400666a"},{"key":"e_1_2_9_18_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-662-55909-3"},{"key":"e_1_2_9_19_1","unstructured":"https:\/\/www.ebi.ac.uk\/pdbe\/covid-19. Accessed 17 2021."},{"key":"e_1_2_9_20_1","unstructured":"https:\/\/www.ebi.ac.uk\/. Accessed 17 2021."},{"key":"e_1_2_9_21_1","unstructured":"https:\/\/www.uniport.org\/uniprot. P0DTD1. Accessed 17 2021."},{"key":"e_1_2_9_22_1","unstructured":"https:\/\/Pubchem.ncbi.nlm.nih.gov\/. Accessed 17 2021."},{"key":"e_1_2_9_23_1","doi-asserted-by":"publisher","DOI":"10.1002\/elps.1150181505"},{"key":"e_1_2_9_24_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btaa774"},{"key":"e_1_2_9_25_1","unstructured":"http:\/\/www.cgl.ucsf.edu\/chimera. Accessed 17 2021."},{"key":"e_1_2_9_26_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21256"},{"key":"e_1_2_9_27_1","unstructured":"The PyMOL Molecular Graphics System Version 1.2r3pre New York NY United States: Schr\u00f6dinger LLC."}],"container-title":["Archiv der Pharmazie"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/ardp.202100160","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full-xml\/10.1002\/ardp.202100160","content-type":"application\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/ardp.202100160","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,8,28]],"date-time":"2023-08-28T06:04:57Z","timestamp":1693202697000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/ardp.202100160"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,8,24]]},"references-count":26,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2021,11]]}},"alternative-id":["10.1002\/ardp.202100160"],"URL":"https:\/\/doi.org\/10.1002\/ardp.202100160","archive":["Portico"],"relation":{},"ISSN":["0365-6233","1521-4184"],"issn-type":[{"value":"0365-6233","type":"print"},{"value":"1521-4184","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,8,24]]},"assertion":[{"value":"2021-04-26","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2021-07-30","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2021-08-24","order":2,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}],"article-number":"2100160"}}