{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,31]],"date-time":"2026-08-31T11:16:11Z","timestamp":1788174971207,"version":"build-2803163510"},"reference-count":64,"publisher":"Wiley","issue":"8","license":[{"start":{"date-parts":[[2026,8,31]],"date-time":"2026-08-31T00:00:00Z","timestamp":1788134400000},"content-version":"vor","delay-in-days":30,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"},{"start":{"date-parts":[[2026,8,1]],"date-time":"2026-08-01T00:00:00Z","timestamp":1785542400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"funder":[{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["RS\u20102022\u2010NR068720"],"award-info":[{"award-number":["RS\u20102022\u2010NR068720"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003725","name":"National Research Foundation of Korea","doi-asserted-by":"publisher","award":["RS\u20102025\u201002263193"],"award-info":[{"award-number":["RS\u20102025\u201002263193"]}],"id":[{"id":"10.13039\/501100003725","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Biotechnology Journal"],"published-print":{"date-parts":[[2026,8]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>The recent spread of human monkeypox (mpox) beyond Africa has attracted global attention. Although mpox is a DNA virus with relatively lower pandemic potential, and smallpox vaccines and therapeutics may offer protection, the distinct clinical features observed in the current outbreak highlight the need for novel antiviral drugs. Here, we developed a drug repurposing workflow based on interspecies protein analysis and advanced virtual screening, integrating pre\u2010 and post\u2010docking processes. After screening 6,074 approved or clinical\u2010stage drugs against viral DNA topoisomerase, we expanded the analysis to viral DNA polymerase, increasing the compound library to 11,484 molecules, including approved or clinical\u2010stage drugs and DNA polymerase inhibitors from ChEMBL. To assess dynamic stability, we performed molecular dynamics (MD) simulations and quantified protein\u2013ligand contact occupancy, distinguishing stably bound candidates from transient docking poses. The MD and convolutional neural\u2010network (GNINA) scoring analyses converged on vindesine for DNA topoisomerase and LY2090314 for DNA polymerase. Importantly, the workflow was applied to targets with distinct prior information, including a structurally characterized DNA polymerase supported by homologue inhibitor data and a less\u2010characterized DNA topoisomerase requiring homology modelling. These results illustrate an adaptable repurposing pipeline for prioritizing therapeutic candidates against emerging infectious diseases, although experimental validation remains required.<\/jats:p>","DOI":"10.1002\/biot.70301","type":"journal-article","created":{"date-parts":[[2026,8,31]],"date-time":"2026-08-31T09:47:05Z","timestamp":1788169625000},"source":"Crossref","is-referenced-by-count":0,"title":["Identification of Repurposed Drugs Against Monkeypox Virus Through Comprehensive Virtual Screening"],"prefix":"10.1002","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7127-4840","authenticated-orcid":false,"given":"Taeho","family":"Yu","sequence":"first","affiliation":[{"name":"Metabolic and Biomolecular Engineering National Research Laboratory Department of Chemical and Biomolecular Engineering (BK21 Four) Korea Advanced Institute of Science and Technology (KAIST) Daejeon Republic of Korea"},{"name":"Systems Metabolic Engineering and Systems Healthcare Cross\u2010Generation Collaborative Laboratory KAIST  Daejeon Republic of Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1649-0174","authenticated-orcid":false,"given":"Woo Dae","family":"Jang","sequence":"additional","affiliation":[{"name":"Metabolic and Biomolecular Engineering National Research Laboratory Department of Chemical and Biomolecular Engineering (BK21 Four) Korea Advanced Institute of Science and Technology (KAIST) Daejeon Republic of Korea"},{"name":"Systems Metabolic Engineering and Systems Healthcare Cross\u2010Generation Collaborative Laboratory KAIST  Daejeon Republic of Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0599-3091","authenticated-orcid":false,"given":"Sang Yup","family":"Lee","sequence":"additional","affiliation":[{"name":"Metabolic and Biomolecular Engineering National Research Laboratory Department of Chemical and Biomolecular Engineering (BK21 Four) Korea Advanced Institute of Science and Technology (KAIST) Daejeon Republic of Korea"},{"name":"Systems Metabolic Engineering and Systems Healthcare Cross\u2010Generation Collaborative Laboratory KAIST  Daejeon Republic of Korea"},{"name":"KAIST Institute for the BioCentury KAIST  Daejeon Republic of Korea"},{"name":"BioProcess Engineering Research Center KAIST  Daejeon Republic of Korea"},{"name":"Graduate School of Engineering Biology KAIST  Daejeon Republic of Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,8,31]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1093\/infdis\/jiaa559"},{"issue":"5","key":"e_1_2_9_3_1","first-page":"593","article-title":"A Human Infection Caused by Monkeypox Virus in Basankusu Territory, Democratic Republic of the Congo","volume":"46","author":"Ladnyj I. 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