{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T19:34:22Z","timestamp":1791920062500,"version":"4.3.4"},"reference-count":66,"publisher":"Informa UK Limited","issue":"12","content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2023,8,13]]},"DOI":"10.1080\/07391102.2022.2092550","type":"journal-article","created":{"date-parts":[[2022,6,25]],"date-time":"2022-06-25T03:23:47Z","timestamp":1656127427000},"page":"5672-5684","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":2,"title":["Discovery of novel natural products as rhodesain inhibitors for human African trypanosomiasis using in silico techniques"],"prefix":"10.1080","volume":"41","author":[{"given":"Hisham A.","family":"Elrufaie","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Gezira, Sudan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Linda M.","family":"Mohamed","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Gezira, Sudan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aya Y.","family":"Hamd","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Gezira, Sudan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Noor A.","family":"Bala","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Gezira, Sudan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fatima A.","family":"Elbadawi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hiba","family":"Ghaboosh","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutics, University of Gezira, Wad Madani, Sudan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8695-6852","authenticated-orcid":false,"given":"Abdulrahim A.","family":"Alzain","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Gezira, Sudan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2022,6,24]]},"reference":[{"key":"CIT0001","doi-asserted-by":"publisher","DOI":"10.1371\/journal.ppat.1004130"},{"key":"CIT0002","doi-asserted-by":"publisher","DOI":"10.1016\/j.imu.2021.100758"},{"key":"CIT0003","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2009.09.037"},{"key":"CIT0004","doi-asserted-by":"publisher","DOI":"10.1016\/j.pt.2018.08.006"},{"key":"CIT0005","doi-asserted-by":"publisher","DOI":"10.1016\/j.molbiopara.2017.10.003"},{"key":"CIT0006","doi-asserted-by":"publisher","DOI":"10.1016\/j.phymed.2021.153523"},{"issue":"5","key":"CIT0007","first-page":"206","volume":"55","author":"Beteck R. M.","year":"2019","journal-title":"Med,"},{"key":"CIT0008","doi-asserted-by":"publisher","DOI":"10.1016\/j.jscs.2012.11.001"},{"key":"CIT0009","doi-asserted-by":"publisher","DOI":"10.1016\/j.arabjc.2013.02.002"},{"key":"CIT0010","doi-asserted-by":"publisher","DOI":"10.1016\/S1359-6446(01)01856-6"},{"key":"CIT0011","doi-asserted-by":"publisher","DOI":"10.1016\/j.onehlt.2020.100182"},{"key":"CIT0012","doi-asserted-by":"publisher","DOI":"10.1016\/S0140-6736(09)60829-1"},{"key":"CIT0013","doi-asserted-by":"publisher","DOI":"10.1016\/S0140-6736(17)31510-6"},{"key":"CIT0014","doi-asserted-by":"publisher","DOI":"10.1016\/j.heliyon.2019.e01304"},{"key":"CIT0015","doi-asserted-by":"publisher","DOI":"10.1016\/j.physa.2021.126282"},{"key":"CIT0016","doi-asserted-by":"publisher","DOI":"10.1016\/j.imu.2021.100725"},{"key":"CIT0017","doi-asserted-by":"publisher","DOI":"10.1007\/s00018-002-8472-0"},{"key":"CIT0018","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2020.112043"},{"key":"CIT0019","doi-asserted-by":"publisher","DOI":"10.1038\/nrendo.2014.170"},{"key":"CIT0020","doi-asserted-by":"publisher","DOI":"10.1021\/jm051256o"},{"key":"CIT0021","doi-asserted-by":"publisher","DOI":"10.2147\/DDDT.S117369"},{"key":"CIT0022","doi-asserted-by":"publisher","DOI":"10.1017\/S0031182020000645"},{"key":"CIT0023","author":"Giroud M.","year":"2018","journal-title":"Repurposing a library of human Cathepsin L Ligands: Identification of macrocyclic lactams as potent rhodesain and trypanosoma brucei inhibitors"},{"key":"CIT0024","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-010-9349-1"},{"key":"CIT0025","doi-asserted-by":"publisher","DOI":"10.1016\/j.jiph.2019.10.006"},{"key":"CIT0026","doi-asserted-by":"publisher","DOI":"10.1016\/j.imu.2021.100570"},{"key":"CIT0027","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(02)00470-9"},{"key":"CIT0028","doi-asserted-by":"publisher","DOI":"10.3390\/ijms222413474"},{"key":"CIT0029","doi-asserted-by":"publisher","DOI":"10.1016\/j.jbc.2021.100565"},{"key":"CIT0030","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0118370"},{"key":"CIT0031","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmgm.2020.107718"},{"key":"CIT0032","doi-asserted-by":"publisher","DOI":"10.1002\/ana.21429"},{"key":"CIT0033","doi-asserted-by":"publisher","DOI":"10.1016\/S1474-4422(12)70296-X"},{"key":"CIT0034","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2019.00039"},{"key":"CIT0035","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M109.014340"},{"key":"CIT0036","first-page":"1","volume":"4","author":"Kerr I. D.","year":"2010","journal-title":"Potential Chemotherapeutic Targets and Major Cysteine Proteases of Trypanosoma brucei"},{"key":"CIT0037","doi-asserted-by":"publisher","DOI":"10.1002\/tcr.201800133"},{"key":"CIT0038","volume-title":"Schr\u00f6dinger, LLC","author":"MacroModel.","year":"2020"},{"key":"CIT0039","doi-asserted-by":"publisher","DOI":"10.1016\/j.dci.2019.05.003"},{"key":"CIT0040","doi-asserted-by":"publisher","DOI":"10.1016\/j.parepi.2019.e00106"},{"key":"CIT0041","doi-asserted-by":"publisher","DOI":"10.1016\/S0140-6736(17)32758-7"},{"key":"CIT0042","doi-asserted-by":"publisher","DOI":"10.1186\/s12859-018-2387-8"},{"key":"CIT0043","doi-asserted-by":"publisher","DOI":"10.1016\/j.jep.2019.112085"},{"key":"CIT0044","doi-asserted-by":"publisher","DOI":"10.1021\/jm00017a002"},{"key":"CIT0045","doi-asserted-by":"publisher","DOI":"10.1128\/iai.59.3.1074-1078.1991"},{"key":"CIT0046","doi-asserted-by":"publisher","DOI":"10.1016\/j.coi.2021.02.007"},{"key":"CIT0047","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-015-9843-6"},{"key":"CIT0048","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2019.06.062"},{"key":"CIT0049","doi-asserted-by":"publisher","DOI":"10.1002\/cmdc.201402459"},{"key":"CIT0050","volume-title":"Schr\u00f6dinger, LLC","author":"QikProp.","year":"2020"},{"key":"CIT0051","doi-asserted-by":"publisher","DOI":"10.1007\/s13337-017-0397-1"},{"key":"CIT0052","doi-asserted-by":"publisher","DOI":"10.3390\/molecules23092260"},{"key":"CIT0053","doi-asserted-by":"publisher","DOI":"10.1212\/NXI.0000000000000610"},{"key":"CIT0054","doi-asserted-by":"publisher","DOI":"10.3390\/md16100385"},{"key":"CIT0055","doi-asserted-by":"publisher","DOI":"10.1021\/ci900212v"},{"key":"CIT0056","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b03052"},{"key":"CIT0057","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2016.11.036"},{"key":"CIT0058","first-page":"275","volume":"19","author":"Scotti L.","year":"2017","journal-title":"Current Protein & Peptide Science"},{"key":"CIT0059","doi-asserted-by":"publisher","DOI":"10.1016\/j.ddtec.2010.11.004"},{"key":"CIT0060","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pntd.0001859"},{"key":"CIT0061","first-page":"1","author":"Singh J.","year":"2020","journal-title":"Nat. Prod. Drug Discov"},{"key":"CIT0062","doi-asserted-by":"publisher","DOI":"10.1007\/s40203-018-0039-3"},{"key":"CIT0063","doi-asserted-by":"publisher","DOI":"10.1021\/ci800324m"},{"key":"CIT0064","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmcl.2017.10.067"},{"key":"CIT0065","author":"Wall R. J.","year":"2018","journal-title":"Clinical and Veterinary Trypanocidal Benzoxaboroles Target CPSF3."},{"key":"CIT0066","doi-asserted-by":"publisher","DOI":"10.3390\/molecules24132355"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2022.2092550","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,7,6]],"date-time":"2023-07-06T14:11:33Z","timestamp":1688652693000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2022.2092550"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,6,24]]},"references-count":66,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2023,8,13]]}},"alternative-id":["10.1080\/07391102.2022.2092550"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2022.2092550","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,6,24]]},"assertion":[{"value":"The publishing and review policy for this title is described in its Aims & Scope.","order":1,"name":"peerreview_statement","label":"Peer Review Statement"},{"value":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","URL":"http:\/\/www.tandfonline.com\/action\/journalInformation?show=aimsScope&journalCode=tbsd20","order":2,"name":"aims_and_scope_url","label":"Aim & Scope"},{"value":"2022-01-25","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2022-06-17","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2022-06-24","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}