{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,23]],"date-time":"2026-10-23T21:49:53Z","timestamp":1792792193741,"version":"4.5.0"},"reference-count":76,"publisher":"Informa UK Limited","issue":"6","funder":[{"name":"Princess Nourah Bint Abdulrahman University Researchers","award":["PNURSP2024R39"],"award-info":[{"award-number":["PNURSP2024R39"]}],"id":[{"id":"https:\/\/ror.org\/05b0cyh02","id-type":"ROR","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100004242","name":"Princess Nourah Bint Abdulrahman University","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100004242","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["www.tandfonline.com"],"crossmark-restriction":true},"short-container-title":["Journal of Biomolecular Structure and Dynamics"],"published-print":{"date-parts":[[2026,4,13]]},"DOI":"10.1080\/07391102.2024.2333456","type":"journal-article","created":{"date-parts":[[2025,2,20]],"date-time":"2025-02-20T00:58:11Z","timestamp":1740013091000},"page":"2747-2767","update-policy":"https:\/\/doi.org\/10.1080\/tandf_crossmark_01","source":"Crossref","is-referenced-by-count":3,"title":["Exploring natural compounds and synthetic derivatives as potential inhibitors of SARS-CoV-2 PLpro: a computational approach with enzyme inhibition and cytotoxicity assessment"],"prefix":"10.1080","volume":"44","author":[{"given":"Shahkaar","family":"Aziz","sequence":"first","affiliation":[{"name":"Institute of Biotechnology and Genetic Engineering, The University of Agriculture","place":["Peshawar, Pakistan"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sana","family":"Khan","sequence":"additional","affiliation":[{"name":"Department of Human Nutrition and Dietetics, Women University Mardan","place":["Mardan, Pakistan"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alaa","family":"Karkashan","sequence":"additional","affiliation":[{"name":"Department of Biological Sciences, College of Science, University of Jeddah","place":["Jeddah, Saudi Arabia"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Noreen","family":"Asim","sequence":"additional","affiliation":[{"name":"Institute of Biotechnology and Genetic Engineering, The University of Agriculture","place":["Peshawar, Pakistan"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Khulud","family":"Bukhari","sequence":"additional","affiliation":[{"name":"Department of Microbiology and Parasitology, College of Veterinary Medicine, King Faisal University","place":["Hofuf, Al-Ahsa, Saudi Arabia"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rand","family":"Mohammad Almousa","sequence":"additional","affiliation":[{"name":"Department of Education, General Directorate of Education","place":["Qassim, Saudi Arabia"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zafar","family":"Ali Shah","sequence":"additional","affiliation":[{"name":"Department of Agricultural Chemistry and Biochemistry, The University of Agriculture","place":["Peshawar, Pakistan"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Khaled S.","family":"Allemailem","sequence":"additional","affiliation":[{"name":"Department of Medical Laboratories, College of Applied Medical Sciences, Qassim University","place":["Buraydah, Saudi Arabia"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wafa Abdullah I.","family":"Al-Megrin","sequence":"additional","affiliation":[{"name":"Department of Biology, College of Science, Princess Nourah bint Abdulrahman University","place":["Riyadh, Saudi Arabia"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"301","published-online":{"date-parts":[[2025,2,19]]},"reference":[{"key":"e_1_3_4_2_1","doi-asserted-by":"publisher","DOI":"10.18051\/UnivMed.2021.v40.176-188"},{"key":"e_1_3_4_3_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41573-020-00114-z"},{"key":"e_1_3_4_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2023.124428"},{"key":"e_1_3_4_5_1","doi-asserted-by":"publisher","DOI":"10.5772\/intechopen.72539"},{"key":"e_1_3_4_6_1","first-page":"25605","article-title":"Versatile remarkable potent bioactivity of quinone based compounds to beat the diseases","volume":"83","author":"Badave P.","year":"2020","unstructured":"Badave, P., Gaikwaid, S., & Jagtap, S. V. (2020). Versatile remarkable potent bioactivity of quinone based compounds to beat the diseases. Engineering Management, 83, 25605\u201325608.","journal-title":"Engineering Management"},{"key":"e_1_3_4_7_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10529-021-03089-y"},{"key":"e_1_3_4_8_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-642-58360-5_1"},{"key":"e_1_3_4_9_1","unstructured":"Blender Online Community. 2018. Blender a 3D modelling and rendering package. Amsterdam: Stichting Blender Foundation. http:\/\/www.blender.org"},{"key":"e_1_3_4_10_1","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2022.876212"},{"key":"e_1_3_4_11_1","unstructured":"Case D. A. Belfon K. Ben-Shalom I. Brozell S. R. Cerutti D. Cheatham T. III Cruzeiro V. W. D. Darden T. A. Duke R. E. Giambasu G. Gilson M. K. Gohlke H. Goetz A. W. Harris R. Izadi S. Izmailov S. A. Kasavajhala K. Kovalenko A. Krasny R. \u2026 Kollman P. A. (2020). Amber 2020. San Francisco: University of California."},{"key":"e_1_3_4_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jproteome.6b00998"},{"key":"e_1_3_4_13_1","volume-title":"Molecular operating environment (MOE) (Version 2022.02). 910\u20131010","author":"Chemical Computing Group ULC","year":"2022","unstructured":"Chemical Computing Group ULC. (2022). Molecular operating environment (MOE) (Version 2022.02). 910\u20131010. Montreal, QC."},{"key":"e_1_3_4_14_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13578-021-00564-x"},{"key":"e_1_3_4_15_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-019-55069-y"},{"key":"e_1_3_4_16_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms232214108"},{"key":"e_1_3_4_17_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep42717"},{"key":"e_1_3_4_18_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"e_1_3_4_19_1","doi-asserted-by":"publisher","DOI":"10.1039\/c7md00381a"},{"key":"e_1_3_4_20_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-018-0283-x"},{"key":"e_1_3_4_21_1","doi-asserted-by":"publisher","DOI":"10.1186\/1741-7007-9-71"},{"key":"e_1_3_4_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm000292e"},{"key":"e_1_3_4_23_1","doi-asserted-by":"publisher","DOI":"10.2174\/1573406416666201106104756"},{"key":"e_1_3_4_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.apsb.2020.08.014"},{"key":"e_1_3_4_25_1","doi-asserted-by":"publisher","DOI":"10.1021\/cc9800071"},{"key":"e_1_3_4_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm1004489"},{"key":"e_1_3_4_27_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.5b00503"},{"key":"e_1_3_4_28_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci100275a"},{"key":"e_1_3_4_29_1","doi-asserted-by":"publisher","DOI":"10.15252\/embj.2020106275"},{"key":"e_1_3_4_30_1","doi-asserted-by":"publisher","DOI":"10.1021\/ar000033j"},{"key":"e_1_3_4_31_1","doi-asserted-by":"publisher","DOI":"10.1002\/1096-987X(20010415)22:5<501::AID-JCC1021>3.0.CO;2-V"},{"key":"e_1_3_4_32_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-020-70522-z"},{"key":"e_1_3_4_33_1","doi-asserted-by":"publisher","DOI":"10.1128\/aac.02577-02520"},{"key":"e_1_3_4_34_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.antiviral.2017.11.001"},{"key":"e_1_3_4_35_1","doi-asserted-by":"publisher","DOI":"10.1016\/s0169-409x(00)00129-0"},{"key":"e_1_3_4_36_1","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-1-13"},{"key":"e_1_3_4_37_1","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-biochem-052521-115653"},{"key":"e_1_3_4_38_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00255"},{"key":"e_1_3_4_39_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2021.1873185"},{"key":"e_1_3_4_40_1","doi-asserted-by":"publisher","DOI":"10.1002\/med.10041"},{"key":"e_1_3_4_41_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejps.2016.10.034"},{"key":"e_1_3_4_42_1","unstructured":"OriginPro. (2021). OriginPro version 2021. Northampton MA USA: OriginLab Corporation."},{"key":"e_1_3_4_43_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-21060-3"},{"key":"e_1_3_4_44_1","doi-asserted-by":"publisher","DOI":"10.12659\/MSM.935952"},{"key":"e_1_3_4_45_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms20184331"},{"key":"e_1_3_4_46_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0805240105"},{"key":"e_1_3_4_47_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.sajb.2021.06.031"},{"key":"e_1_3_4_48_1","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2020.1797536"},{"key":"e_1_3_4_49_1","doi-asserted-by":"publisher","DOI":"10.1021\/ct400341p"},{"key":"e_1_3_4_50_1","first-page":"3247","article-title":"A brief review: Antibacterial activity of quinone derivatives","volume":"12","author":"Sahoo P. M. S.","year":"2022","unstructured":"Sahoo, P. M. S., Behera, S., Behura, R., Acharya, A., Biswal, D., Suna, S. K., Sahoo, R., Soren, R. C., & Jali, B. R. (2022). A brief review: Antibacterial activity of quinone derivatives. Biointerface Research in Applied Chemistry, 12, 3247\u20133258.","journal-title":"Biointerface Research in Applied Chemistry,"},{"key":"e_1_3_4_51_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-023-37254-w"},{"key":"e_1_3_4_52_1","doi-asserted-by":"publisher","DOI":"10.1101\/2022.01.05.475095"},{"key":"e_1_3_4_53_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2021.115298"},{"key":"e_1_3_4_54_1","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-374194-3.00021-4"},{"key":"e_1_3_4_55_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01390"},{"key":"e_1_3_4_56_1","doi-asserted-by":"publisher","DOI":"10.5772\/intechopen.85991"},{"key":"e_1_3_4_57_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-020-2601-5"},{"key":"e_1_3_4_58_1","doi-asserted-by":"publisher","DOI":"10.1124\/pr.112.007336"},{"key":"e_1_3_4_59_1","doi-asserted-by":"publisher","DOI":"10.1021\/ci960402j"},{"key":"e_1_3_4_60_1","doi-asserted-by":"publisher","DOI":"10.1155\/2020\/6307457"},{"key":"e_1_3_4_61_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.adm9724"},{"key":"e_1_3_4_62_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jmedchem.2c00303"},{"key":"e_1_3_4_63_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-023-28226-7"},{"key":"e_1_3_4_64_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00591"},{"key":"e_1_3_4_65_1","doi-asserted-by":"publisher","DOI":"10.1002\/cbic.202200327"},{"key":"e_1_3_4_66_1","doi-asserted-by":"publisher","DOI":"10.1021\/jm020017n"},{"key":"e_1_3_4_67_1","doi-asserted-by":"publisher","DOI":"10.1021\/ct050212s"},{"key":"e_1_3_4_68_1","doi-asserted-by":"publisher","DOI":"10.4155\/fmc-2016-0143"},{"key":"e_1_3_4_69_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20035"},{"key":"e_1_3_4_70_1","doi-asserted-by":"publisher","DOI":"10.34133\/research.0170"},{"key":"e_1_3_4_71_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0178333"},{"key":"e_1_3_4_72_1","doi-asserted-by":"publisher","DOI":"10.1002\/prot.23018"},{"key":"e_1_3_4_73_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2021.113632"},{"key":"e_1_3_4_74_1","doi-asserted-by":"publisher","DOI":"10.1007\/s13238-021-00836-9"},{"key":"e_1_3_4_75_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-020-2012-7"},{"key":"e_1_3_4_76_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2012.07.016"},{"key":"e_1_3_4_77_1","doi-asserted-by":"publisher","DOI":"10.1056\/NEJMoa2001017"}],"container-title":["Journal of Biomolecular Structure and Dynamics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.tandfonline.com\/doi\/pdf\/10.1080\/07391102.2024.2333456","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,4,1]],"date-time":"2026-04-01T14:32:01Z","timestamp":1775053921000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2024.2333456"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,2,19]]},"references-count":76,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2026,4,13]]}},"alternative-id":["10.1080\/07391102.2024.2333456"],"URL":"https:\/\/doi.org\/10.1080\/07391102.2024.2333456","relation":{},"ISSN":["0739-1102","1538-0254"],"issn-type":[{"value":"0739-1102","type":"print"},{"value":"1538-0254","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,2,19]]},"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":"2023-12-10","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2024-03-15","order":2,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication History"}},{"value":"2025-02-19","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}