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Discovery of WRN helicase inhibitors by 3D-CNN docking and ML consensus from traditional Chinese medicine monomers.

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Title: Discovery of WRN helicase inhibitors by 3D-CNN docking and ML consensus from traditional Chinese medicine monomers.
Authors: Cho SC; Department of Chemistry, National Cheng Kung University, No.1, University Road, Tainan City, 701, Taiwan, ROC; Department of Biological Sciences and Technology, National University of Tainan, 33, Sec. 2, Shu-Lin St., West Central Dist., Tainan City, 700, Taiwan, ROC., Wang YW; Department of Food Safety Hygiene and Risk Management, College of Medicine, National Cheng Kung University, No.1, University Road, Tainan City, 701, Taiwan, ROC., Chu CA; Department of Pathology, National Cheng Kung University Hospital, College of Medicine, National Cheng Kung University, No.1, University Road, Tainan City, 701, Taiwan, ROC., Huang MC; Department of Biological Sciences and Technology, National University of Tainan, 33, Sec. 2, Shu-Lin St., West Central Dist., Tainan City, 700, Taiwan, ROC., Pangging M; Research School of Biology, Australian National University, Canberra, ACT, 2601, Australia., Lee CT; Department of Pathology, National Cheng Kung University Hospital, College of Medicine, National Cheng Kung University, No.1, University Road, Tainan City, 701, Taiwan, ROC. Electronic address: lcta@mail.ncku.edu.tw.
Source: Journal of molecular graphics & modelling [J Mol Graph Model] 2026 Jul; Vol. 146, pp. 109376. Date of Electronic Publication: 2026 Mar 30.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Science, Inc Country of Publication: United States NLM ID: 9716237 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-4243 (Electronic) Linking ISSN: 10933263 NLM ISO Abbreviation: J Mol Graph Model Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Discovery of WRN helicase inhibitors by 3D-CNN docking and ML consensus from traditional Chinese medicine monomers.
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  Data: <searchLink fieldCode="AU" term="%22Cho+SC%22">Cho SC</searchLink>; Department of Chemistry, National Cheng Kung University, No.1, University Road, Tainan City, 701, Taiwan, ROC; Department of Biological Sciences and Technology, National University of Tainan, 33, Sec. 2, Shu-Lin St., West Central Dist., Tainan City, 700, Taiwan, ROC.<br /><searchLink fieldCode="AU" term="%22Wang+YW%22">Wang YW</searchLink>; Department of Food Safety Hygiene and Risk Management, College of Medicine, National Cheng Kung University, No.1, University Road, Tainan City, 701, Taiwan, ROC.<br /><searchLink fieldCode="AU" term="%22Chu+CA%22">Chu CA</searchLink>; Department of Pathology, National Cheng Kung University Hospital, College of Medicine, National Cheng Kung University, No.1, University Road, Tainan City, 701, Taiwan, ROC.<br /><searchLink fieldCode="AU" term="%22Huang+MC%22">Huang MC</searchLink>; Department of Biological Sciences and Technology, National University of Tainan, 33, Sec. 2, Shu-Lin St., West Central Dist., Tainan City, 700, Taiwan, ROC.<br /><searchLink fieldCode="AU" term="%22Pangging+M%22">Pangging M</searchLink>; Research School of Biology, Australian National University, Canberra, ACT, 2601, Australia.<br /><searchLink fieldCode="AU" term="%22Lee+CT%22">Lee CT</searchLink>; Department of Pathology, National Cheng Kung University Hospital, College of Medicine, National Cheng Kung University, No.1, University Road, Tainan City, 701, Taiwan, ROC. Electronic address: lcta@mail.ncku.edu.tw.
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  Data: <searchLink fieldCode="JN" term="%229716237%22">Journal of molecular graphics & modelling</searchLink> [J Mol Graph Model] 2026 Jul; Vol. 146, pp. 109376. <i>Date of Electronic Publication: </i>2026 Mar 30.
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        Value: 10.1016/j.jmgm.2026.109376
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        Text: English
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        StartPage: 109376
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      – TitleFull: Discovery of WRN helicase inhibitors by 3D-CNN docking and ML consensus from traditional Chinese medicine monomers.
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              Text: 2026 Jul
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              Y: 2026
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              Value: 146
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