{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,19]],"date-time":"2025-09-19T03:23:38Z","timestamp":1758252218148,"version":"3.44.0"},"reference-count":67,"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":[[2025,8,13]]},"DOI":"10.1080\/07391102.2025.2516757","type":"journal-article","created":{"date-parts":[[2025,6,13]],"date-time":"2025-06-13T15:08:03Z","timestamp":1749827283000},"page":"6419-6434","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":0,"title":["Revisiting\n            <i>Plasmodium falciparum<\/i>\n            P-type ATPase 4 in malarial: ADMET, mutation effect, and molecular simulation studies of potential inhibitors"],"prefix":"10.1080","volume":"43","author":[{"given":"Iseoluwa Isaac","family":"Ajayi","sequence":"first","affiliation":[{"name":"Department of Biological Sciences, Bamidele Olumilua University of Education, Science and Technology, Ikere-Ekiti","place":["Ikere-Ekiti, Nigeria"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3202-9855","authenticated-orcid":false,"given":"Toluwase Hezekiah","family":"Fatoki","sequence":"additional","affiliation":[{"name":"Applied Bioinformatics Laboratory, Department of Biochemistry, Federal University Oye-Ekiti","place":["Oye-Ekiti, Nigeria"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ayodele Sunday","family":"Alonge","sequence":"additional","affiliation":[{"name":"Department of Biological Sciences, Bamidele Olumilua University of Education, Science and Technology, Ikere-Ekiti","place":["Ikere-Ekiti, Nigeria"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Courage Dele","family":"Famusiwa","sequence":"additional","affiliation":[{"name":"Phytomedicine and Molecular Toxicology Research Laboratory, Department of Biochemistry, Federal University Oye-Ekiti","place":["Oye-Ekiti, Nigeria"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ibrahim Olabayode","family":"Saliu","sequence":"additional","affiliation":[{"name":"Department of Genetics, Washington University School of Medicine","place":["St. Louis, USA"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Blessing Anuoluwapo","family":"Ejimadu","sequence":"additional","affiliation":[{"name":"Applied Bioinformatics Laboratory, Department of Biochemistry, Federal University Oye-Ekiti","place":["Oye-Ekiti, Nigeria"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mayowa Oluwalana","family":"Obafemi","sequence":"additional","affiliation":[{"name":"Department of Biological Sciences, Bamidele Olumilua University of Education, Science and Technology, Ikere-Ekiti","place":["Ikere-Ekiti, Nigeria"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"301","published-online":{"date-parts":[[2025,6,13]]},"reference":[{"key":"e_1_3_2_2_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0294511"},{"key":"e_1_3_2_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/s1473-3099(18)30068-9"},{"key":"e_1_3_2_4_1","doi-asserted-by":"publisher","DOI":"10.1111\/bph.16144"},{"key":"e_1_3_2_5_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0140-6736(18)30324-6"},{"key":"e_1_3_2_6_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkr320"},{"key":"e_1_3_2_7_1","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMoa2101746"},{"key":"e_1_3_2_8_1","doi-asserted-by":"publisher","DOI":"10.3389\/fcimb.2022.1060202"},{"key":"e_1_3_2_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijpara.2003.09.011"},{"key":"e_1_3_2_10_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.ppat.1003344"},{"issue":"1","key":"e_1_3_2_11_1","doi-asserted-by":"crossref","first-page":"42717","DOI":"10.1038\/srep42717","article-title":"SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules","volume":"7","author":"Daina A.","year":"2017","unstructured":"Daina, A., Michielin, O., & Zoete, V. (2017). SwissADME: A free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific Report, 7(1), 42717.","journal-title":"Scientific Report,"},{"key":"e_1_3_2_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijpara.2020.01.002"},{"key":"e_1_3_2_13_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.00087-18"},{"key":"e_1_3_2_14_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-26819-1"},{"key":"e_1_3_2_15_1","doi-asserted-by":"publisher","DOI":"10.3389\/fimmu.2023.1193256"},{"key":"e_1_3_2_16_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms24119289"},{"key":"e_1_3_2_17_1","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-micro-041320-020659"},{"key":"e_1_3_2_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0166-6851(96)02593-5"},{"key":"e_1_3_2_19_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.1c00203"},{"key":"e_1_3_2_20_1","doi-asserted-by":"publisher","DOI":"10.1042\/BJ20020793"},{"key":"e_1_3_2_21_1","doi-asserted-by":"publisher","DOI":"10.3389\/fbinf.2023.1123307"},{"key":"e_1_3_2_22_1","doi-asserted-by":"publisher","DOI":"10.5937\/afmnai39-31499"},{"key":"e_1_3_2_23_1","doi-asserted-by":"publisher","DOI":"10.1177\/11779322209431"},{"key":"e_1_3_2_24_1","doi-asserted-by":"publisher","DOI":"10.2478\/acb-2021-0020"},{"key":"e_1_3_2_25_1","doi-asserted-by":"publisher","DOI":"10.33263\/BRIAC142.049"},{"key":"e_1_3_2_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/cb500616x"},{"key":"e_1_3_2_27_1","doi-asserted-by":"publisher","DOI":"10.1083\/jcb.144.4.673"},{"key":"e_1_3_2_28_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-019-46500-5"},{"key":"e_1_3_2_29_1","doi-asserted-by":"publisher","DOI":"10.2174\/1573409916666191226103000"},{"key":"e_1_3_2_30_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep27806"},{"key":"e_1_3_2_31_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.01940-16"},{"key":"e_1_3_2_32_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1414221111"},{"key":"e_1_3_2_33_1","doi-asserted-by":"publisher","DOI":"10.1038\/nbt1284"},{"key":"e_1_3_2_34_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.00771-21"},{"key":"e_1_3_2_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.lfs.2006.11.008"},{"key":"e_1_3_2_36_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gky356"},{"key":"e_1_3_2_37_1","doi-asserted-by":"publisher","DOI":"10.1111\/mmi.12765"},{"key":"e_1_3_2_38_1","doi-asserted-by":"publisher","DOI":"10.1016\/s0169-409x(96)00423-1"},{"key":"e_1_3_2_39_1","doi-asserted-by":"publisher","DOI":"10.1093\/cid\/ciaa628"},{"key":"e_1_3_2_40_1","doi-asserted-by":"publisher","DOI":"10.1111\/j.1365-2958.2009.06863.x"},{"key":"e_1_3_2_41_1","doi-asserted-by":"publisher","DOI":"10.1186\/gb-2005-6-3-r26"},{"key":"e_1_3_2_42_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-021-82499-4"},{"key":"e_1_3_2_43_1","doi-asserted-by":"publisher","DOI":"10.1038\/nsb0902-646"},{"key":"e_1_3_2_44_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0911813107"},{"key":"e_1_3_2_45_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21256"},{"key":"e_1_3_2_46_1","doi-asserted-by":"publisher","DOI":"10.1128\/mBio.02694-20"},{"key":"e_1_3_2_47_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.5b00104"},{"key":"e_1_3_2_48_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-022-33403-9"},{"key":"e_1_3_2_49_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2023.2232459"},{"key":"e_1_3_2_50_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1193225"},{"key":"e_1_3_2_51_1","unstructured":"Schr\u00f6dinger. (2018). Schr\u00f6dinger release 2018-3. Desmond molecular dynamics system D.E. Shaw research. Maestro Desmond Interoperability Tools Schr\u00f6dinger."},{"key":"e_1_3_2_52_1","unstructured":"Schr\u00f6dinger. (2019). What do all the Prime MM-GBSA energy properties mean? www.schrodinger.com\/kb\/1875"},{"key":"e_1_3_2_53_1","doi-asserted-by":"publisher","DOI":"10.2147\/IDR.S279433"},{"key":"e_1_3_2_54_1","doi-asserted-by":"publisher","DOI":"10.1021\/ct900587b"},{"key":"e_1_3_2_55_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chom.2012.12.006"},{"key":"e_1_3_2_56_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijpddr.2015.07.001"},{"key":"e_1_3_2_57_1","doi-asserted-by":"publisher","DOI":"10.1152\/ajpcell.2001.280.6.C1576"},{"key":"e_1_3_2_58_1","doi-asserted-by":"publisher","DOI":"10.1128\/mSphere.00534-17"},{"key":"e_1_3_2_59_1","doi-asserted-by":"publisher","DOI":"10.1242\/jcs.257345"},{"key":"e_1_3_2_60_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.8b00633"},{"key":"e_1_3_2_61_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12936-023-04481-x"},{"key":"e_1_3_2_62_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21334"},{"key":"e_1_3_2_63_1","doi-asserted-by":"publisher","DOI":"10.1128\/AAC.06377-11"},{"key":"e_1_3_2_64_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.94.17.9108"},{"key":"e_1_3_2_65_1","doi-asserted-by":"publisher","DOI":"10.15252\/msb.202211081"},{"key":"e_1_3_2_66_1","unstructured":"World Health Organization. (2021). World malaria report 2021."},{"key":"e_1_3_2_67_1","unstructured":"World Health Organization. (2022). World malaria report 2022: Tracking progress and gaps in the global response to malaria."},{"key":"e_1_3_2_68_1","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M104884200"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2025.2516757","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,9,18]],"date-time":"2025-09-18T18:23:22Z","timestamp":1758219802000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2025.2516757"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,6,13]]},"references-count":67,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2025,8,13]]}},"alternative-id":["10.1080\/07391102.2025.2516757"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2025.2516757","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"type":"print","value":"0739-1102"},{"type":"electronic","value":"1538-0254"}],"subject":[],"published":{"date-parts":[[2025,6,13]]},"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":"2024-01-28","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-04-01","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-06-13","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}