{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,19]],"date-time":"2026-10-19T17:46:30Z","timestamp":1792431990751,"version":"4.5.0"},"reference-count":42,"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":[[2024,8,12]]},"DOI":"10.1080\/07391102.2023.2242950","type":"journal-article","created":{"date-parts":[[2023,8,7]],"date-time":"2023-08-07T07:25:04Z","timestamp":1691393104000},"page":"6245-6255","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":20,"title":["Computational screening and MM\/GBSA-based MD simulation studies reveal the high binding potential of FDA-approved drugs against\n            <i>Cutibacterium acnes<\/i>\n            sialidase"],"prefix":"10.1080","volume":"42","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-6629-4804","authenticated-orcid":false,"given":"Akash Pratap","family":"Singh","sequence":"first","affiliation":[{"name":"Infectious Disease Laboratory, Institute of Genomics and Integrative Biology (IGIB), New Delhi, India"},{"name":"Academy of Innovative and Scientific Research (AcSIR), Ghaziabad, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9832-2830","authenticated-orcid":false,"given":"Shaban","family":"Ahmad","sequence":"additional","affiliation":[{"name":"Department of Computer Science, Jamia Millia Islamia, New Delhi, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3646-6828","authenticated-orcid":false,"given":"Khalid","family":"Raza","sequence":"additional","affiliation":[{"name":"Department of Computer Science, Jamia Millia Islamia, New Delhi, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7979-3514","authenticated-orcid":false,"given":"Hemant K.","family":"Gautam","sequence":"additional","affiliation":[{"name":"Infectious Disease Laboratory, Institute of Genomics and Integrative Biology (IGIB), New Delhi, India"},{"name":"Academy of Innovative and Scientific Research (AcSIR), Ghaziabad, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2023,8,7]]},"reference":[{"key":"e_1_3_7_2_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21773"},{"key":"e_1_3_7_3_1","doi-asserted-by":"publisher","DOI":"10.3109\/14756366.2014.956309"},{"key":"e_1_3_7_4_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2022.2110158"},{"key":"e_1_3_7_5_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules27144391"},{"key":"e_1_3_7_6_1","doi-asserted-by":"publisher","DOI":"10.3390\/medicina58040515"},{"key":"e_1_3_7_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/cr000407m"},{"key":"e_1_3_7_8_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1100330"},{"key":"e_1_3_7_9_1","doi-asserted-by":"publisher","DOI":"10.1002\/poc.4170"},{"key":"e_1_3_7_10_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkz499"},{"key":"e_1_3_7_11_1","doi-asserted-by":"publisher","DOI":"10.5694\/j.1326-5377.1998.tb140250.x"},{"key":"e_1_3_7_12_1","doi-asserted-by":"publisher","DOI":"10.1093\/glycob\/2.6.509"},{"key":"e_1_3_7_13_1","doi-asserted-by":"publisher","DOI":"10.1001\/jamanetworkopen.2019.14977"},{"key":"e_1_3_7_14_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules27030620"},{"key":"e_1_3_7_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/ct700301q"},{"key":"e_1_3_7_16_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10128"},{"key":"e_1_3_7_17_1","doi-asserted-by":"publisher","DOI":"10.1177\/1934578X221086988"},{"key":"e_1_3_7_18_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2021.1896388"},{"key":"e_1_3_7_19_1","doi-asserted-by":"publisher","DOI":"10.1080\/08927022.2021.1957884"},{"key":"e_1_3_7_20_1","doi-asserted-by":"publisher","DOI":"10.1002\/j.1875-9114.1983.tb03252.x"},{"key":"e_1_3_7_21_1","doi-asserted-by":"publisher","DOI":"10.1128\/IAI.01237-05"},{"key":"e_1_3_7_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/ct300418h"},{"key":"e_1_3_7_23_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21256"},{"key":"e_1_3_7_24_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M404965200"},{"key":"e_1_3_7_25_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2020.128715"},{"key":"e_1_3_7_26_1","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMra010253"},{"key":"e_1_3_7_27_1","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.81"},{"key":"e_1_3_7_28_1","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1327"},{"key":"e_1_3_7_29_1","doi-asserted-by":"publisher","DOI":"10.1002\/prot.20033"},{"key":"e_1_3_7_30_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0065-3233(03)66002-X"},{"key":"e_1_3_7_31_1","doi-asserted-by":"publisher","DOI":"10.3389\/fgene.2021.564056"},{"key":"e_1_3_7_32_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature05114"},{"issue":"4","key":"e_1_3_7_33_1","first-page":"444","article-title":"Which diuretic should be used for the treatment of hypertension?","volume":"78","author":"Saklayen M. G.","year":"2008","unstructured":"Saklayen, M. G. (2008). Which diuretic should be used for the treatment of hypertension? American Family Physician, 78(4), 444.","journal-title":"American Family Physician"},{"key":"e_1_3_7_34_1","doi-asserted-by":"publisher","DOI":"10.3389\/fmolb.2023.1098217"},{"key":"e_1_3_7_35_1","doi-asserted-by":"publisher","DOI":"10.2174\/156802610790232251"},{"key":"e_1_3_7_36_1","doi-asserted-by":"publisher","DOI":"10.2174\/1568026619666190121105851"},{"key":"e_1_3_7_37_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"e_1_3_7_38_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00645"},{"key":"e_1_3_7_39_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20291"},{"key":"e_1_3_7_40_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21367"},{"key":"e_1_3_7_41_1","doi-asserted-by":"publisher","DOI":"10.1038\/nature05816"},{"key":"e_1_3_7_42_1","author":"Varki A.","year":"2022","unstructured":"Varki, A., et\u00a0al. (2022). Essentials of glycobiology.","journal-title":"Essentials of glycobiology."},{"key":"e_1_3_7_43_1","doi-asserted-by":"publisher","DOI":"10.1128\/MMBR.68.1.132-153.2004"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2023.2242950","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,6,26]],"date-time":"2024-06-26T14:19:26Z","timestamp":1719411566000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2023.2242950"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,8,7]]},"references-count":42,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2024,8,12]]}},"alternative-id":["10.1080\/07391102.2023.2242950"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2023.2242950","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,8,7]]},"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":"2023-03-21","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-06-29","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-08-07","order":2,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}