{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T22:41:47Z","timestamp":1787006507116,"version":"build-2736575974"},"reference-count":57,"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\/07391102.2023.2232459","type":"journal-article","created":{"date-parts":[[2023,7,10]],"date-time":"2023-07-10T01:54:21Z","timestamp":1688954061000},"page":"6200-6211","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":7,"title":["Search for novel\n                    <i>Plasmodium falciparum Pf<\/i>\n                    ATP4 inhibitors from the MMV Pandemic Response Box through a virtual screening approach"],"prefix":"10.1080","volume":"42","author":[{"ORCID":"https:\/\/orcid.org\/0009-0004-4436-695X","authenticated-orcid":false,"given":"Keerthy","family":"Reghunandanan","sequence":"first","affiliation":[{"name":"DBT-Rajiv Gandhi Centre for Biotechnology, Red Cell Diseases Laboratory, Thiruvananthapuram, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-6912-9490","authenticated-orcid":false,"given":"Akhila","family":"T P","sequence":"additional","affiliation":[{"name":"DBT-Rajiv Gandhi Centre for Biotechnology, Red Cell Diseases Laboratory, Thiruvananthapuram, India"},{"name":"Manipal Academy of Higher Education, Manipal, Karnataka, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nandini","family":"Krishnan","sequence":"additional","affiliation":[{"name":"DBT-Rajiv Gandhi Centre for Biotechnology, Red Cell Diseases Laboratory, Thiruvananthapuram, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Darsana","family":"K M","sequence":"additional","affiliation":[{"name":"DBT-Rajiv Gandhi Centre for Biotechnology, Red Cell Diseases Laboratory, Thiruvananthapuram, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0799-8646","authenticated-orcid":false,"given":"Roshny","family":"Prasad","sequence":"additional","affiliation":[{"name":"DBT-Rajiv Gandhi Centre for Biotechnology, Bioinformatics Laboratory, Thiruvananthapuram, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3346-0383","authenticated-orcid":false,"given":"Shijulal","family":"Nelson-Sathi","sequence":"additional","affiliation":[{"name":"DBT-Rajiv Gandhi Centre for Biotechnology, Bioinformatics Laboratory, Thiruvananthapuram, India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8760-0396","authenticated-orcid":false,"given":"Rajesh","family":"Chandramohanadas","sequence":"additional","affiliation":[{"name":"DBT-Rajiv Gandhi Centre for Biotechnology, Red Cell Diseases Laboratory, Thiruvananthapuram, India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2023,7,9]]},"reference":[{"key":"e_1_3_3_2_1","doi-asserted-by":"crossref","unstructured":"Agrawal P. Kumari S. Sharma U. & Sahal D. (2021). Glideosomal GAP50 binders that inhibit invasion and restrict malaria parasite in\u00a0vitro and in\u00a0vivo. https:\/\/www.researchsquare.com\/article\/rs-1099040\/latest.pdf","DOI":"10.21203\/rs.3.rs-1099040\/v2"},{"key":"e_1_3_3_3_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep34984"},{"key":"e_1_3_3_4_1","doi-asserted-by":"publisher","DOI":"10.1177\/2040620714552614"},{"key":"e_1_3_3_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.9b00761"},{"key":"e_1_3_3_6_1","doi-asserted-by":"publisher","DOI":"10.3389\/fcimb.2022.1060202"},{"key":"e_1_3_3_7_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.80.2733"},{"key":"e_1_3_3_8_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gki070"},{"key":"e_1_3_3_9_1","doi-asserted-by":"publisher","DOI":"10.1101\/2020.10.29.352450"},{"key":"e_1_3_3_10_1","doi-asserted-by":"publisher","DOI":"10.1016\/J.PT.2006.05.011"},{"key":"e_1_3_3_11_1","first-page":"779","article-title":"BIOVIA discovery studio visualizer","volume":"20","author":"Biovia D. S.","year":"2017","unstructured":"Biovia, D. S. (2017). BIOVIA discovery studio visualizer. Softw. version, 20, 779.","journal-title":"Softw. version"},{"key":"e_1_3_3_12_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10822-011-9517-y"},{"key":"e_1_3_3_13_1","doi-asserted-by":"publisher","DOI":"10.1145\/1188455.1188544"},{"key":"e_1_3_3_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/J.CELL.2016.07.055"},{"key":"e_1_3_3_15_1","unstructured":"DeLano W. L. (2002). Pymol: An open-source molecular graphics tool.\u00a0Advances in Biological Chemistry 8(4)."},{"key":"e_1_3_3_16_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.00379-17"},{"key":"e_1_3_3_17_1","doi-asserted-by":"publisher","DOI":"10.3390\/jof6040324"},{"key":"e_1_3_3_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/J.IJPDDR.2015.05.004"},{"key":"e_1_3_3_19_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm0306430"},{"key":"e_1_3_3_20_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm030644s"},{"key":"e_1_3_3_21_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm030644s"},{"key":"e_1_3_3_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci800324m"},{"key":"e_1_3_3_23_1","doi-asserted-by":"publisher","DOI":"10.2147\/AABC.S70333"},{"key":"e_1_3_3_24_1","doi-asserted-by":"publisher","DOI":"10.1002\/JMV.27616"},{"key":"e_1_3_3_25_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-2836(02)00470-9"},{"key":"e_1_3_3_26_1","doi-asserted-by":"publisher","DOI":"10.1002\/prot.10613"},{"key":"e_1_3_3_27_1","doi-asserted-by":"publisher","DOI":"10.1021\/acsomega.0c01511"},{"key":"e_1_3_3_28_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-021-03819-2"},{"key":"e_1_3_3_29_1","doi-asserted-by":"publisher","DOI":"10.1016\/J.SBI.2009.03.004"},{"key":"e_1_3_3_30_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2010.10507344"},{"key":"e_1_3_3_31_1","doi-asserted-by":"publisher","DOI":"10.1089\/JOP.2015.0098"},{"key":"e_1_3_3_32_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M010554200"},{"key":"e_1_3_3_33_1","doi-asserted-by":"publisher","DOI":"10.1158\/1078-0432.CCR-15-0530\/176571\/AM\/PANOBINOSTAT-FOR-THE-TREATMENT-OF-MULTIPLE"},{"key":"e_1_3_3_34_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevE.104.025307"},{"key":"e_1_3_3_35_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00302"},{"key":"e_1_3_3_36_1","doi-asserted-by":"publisher","DOI":"10.1371\/JOURNAL.PONE.0119264"},{"key":"e_1_3_3_37_1","doi-asserted-by":"publisher","DOI":"10.1007\/s40265-015-0398-6"},{"key":"e_1_3_3_38_1","doi-asserted-by":"publisher","DOI":"10.2174\/157340911795677602"},{"key":"e_1_3_3_39_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-020-77524-x"},{"key":"e_1_3_3_40_1","doi-asserted-by":"publisher","DOI":"10.1016\/J.TMAID.2004.03.002"},{"key":"e_1_3_3_41_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.01802-19"},{"key":"e_1_3_3_42_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-33403-9"},{"key":"e_1_3_3_43_1","doi-asserted-by":"publisher","DOI":"10.3389\/fddsv.2022.920850"},{"key":"e_1_3_3_44_1","volume-title":"2: LigPrep","author":"Release S.","year":"2017","unstructured":"Release, S. (2017). 2: LigPrep. Schr\u00f6dinger, LLC."},{"key":"e_1_3_3_45_1","doi-asserted-by":"publisher","DOI":"10.1021\/ACS.JCTC.8B01026\/SUPPL_FILE\/CT8B01026_SI_002.ZIP"},{"key":"e_1_3_3_46_1","doi-asserted-by":"publisher","DOI":"10.1021\/ACSINFECDIS.1C00527\/SUPPL_FILE\/ID1C00527_SI_002.XLSX"},{"key":"e_1_3_3_47_1","doi-asserted-by":"publisher","DOI":"10.3390\/v14061186"},{"key":"e_1_3_3_48_1","doi-asserted-by":"publisher","DOI":"10.1051\/parasite\/2014059"},{"key":"e_1_3_3_49_1","doi-asserted-by":"publisher","DOI":"10.1016\/J.IJPDDR.2015.07.001"},{"key":"e_1_3_3_50_1","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms9614"},{"key":"e_1_3_3_51_1","doi-asserted-by":"publisher","DOI":"10.1128\/mSphere.00534-17"},{"key":"e_1_3_3_52_1","doi-asserted-by":"publisher","DOI":"10.1111\/J.1742-4658.2007.05997.X"},{"key":"e_1_3_3_53_1","doi-asserted-by":"publisher","DOI":"10.1002\/wics.147"},{"key":"e_1_3_3_54_1","doi-asserted-by":"publisher","DOI":"10.2147\/TCRM.S90335"},{"key":"e_1_3_3_55_1","volume-title":"World malaria report 2022","author":"World Health Organization","year":"2022","unstructured":"World Health Organization. (2022). World malaria report 2022. WHO."},{"issue":"4","key":"e_1_3_3_56_1","first-page":"1","article-title":"Brilacidin, a non-peptide defensin-mimetic molecule, inhibits SARS-CoV-2 infection by blocking viral entry","volume":"18","author":"Xu C.","year":"2022","unstructured":"Xu, C., Wang, A., Honnen, W., Pinter, A., Weston, W. K., Harness, J. A., Narayanan, A., & Chang, T. L. (2022). Brilacidin, a non-peptide defensin-mimetic molecule, inhibits SARS-CoV-2 infection by blocking viral entry. EC Microbiology, 18(4), 1\u20134.","journal-title":"EC Microbiology,"},{"key":"e_1_3_3_57_1","doi-asserted-by":"publisher","DOI":"10.2174\/1568026623666221121154354"},{"key":"e_1_3_3_58_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm0510023"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2023.2232459","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,6,26]],"date-time":"2024-06-26T10:17:33Z","timestamp":1719397053000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2023.2232459"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,7,9]]},"references-count":57,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2024,8,12]]}},"alternative-id":["10.1080\/07391102.2023.2232459"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2023.2232459","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,7,9]]},"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":"2023-04-15","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-06-27","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2023-07-09","order":2,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}