Developing a Multi-Scale Virtual Twin of the Liver: Modeling Drug-Induced Injury at the Lobular Scale

Developing a Multi-Scale Virtual Twin of the Liver: Modeling Drug-Induced Injury at the Lobular Scale | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article Developing a Multi-Scale Virtual Twin of the Liver: Modeling Drug-Induced Injury at the Lobular Scale Nicolas Gallo, Stelian Camara Dit Pinto, Jalal Cherkaoui, Debarshi Ghosh, and 8 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-4542338/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 28 Nov, 2024 Read the published version in npj Digital Medicine → Version 1 posted 11 You are reading this latest preprint version Abstract Addressing drug-induced liver injury is crucial in drug development, often causing Phase III trial failures and market withdrawals. Traditional animal models fail to predict human liver toxicity accurately. Virtual twins of human organs present a promising solution. We introduce the Virtual Lobule, a foundational element of The Living Liver, a multi-scale liver virtual twin. This model integrates blood flow dynamics and an acetaminophen-induced injury model to predict hepatocyte injury patterns specific to patients. By incorporating metabolic zonation, our predictions align with clinical zonal hepatotoxicity observations. This methodology advances the development of a human liver virtual twin, aiding in the prediction and validation of drug-induced liver injuries. Health sciences/Medical research/Translational research Physical sciences/Mathematics and computing/Computational science Biological sciences/Computational biology and bioinformatics/Computational models Biological sciences/Drug discovery/Toxicology Figures Figure 1 Figure 2 Figure 3 Figure 4 Figure 5 Figure 6 Figure 7 Full Text Additional Declarations There is a conflict of interest Steven M. Levine is a Dassault Systemes employee. John M.Vierling is a member of IQDILI and the NIH NIDDK Drug-Induced Liver Injury Network Data Safety and Management Board. Nicolas R. Gallo has served as a consultant for Dassault Systemes. The remaining authors declare no competing interests. Cite Share Download PDF Status: Published Journal Publication published 28 Nov, 2024 Read the published version in npj Digital Medicine → Version 1 posted Editorial decision: revise 12 Aug, 2024 Review # 3 received at journal 24 Jul, 2024 Reviewer # 3 agreed at journal 10 Jul, 2024 Reviewer # 2 agreed at journal 10 Jul, 2024 Review # 1 received at journal 02 Jul, 2024 Reviewer # 1 agreed at journal 01 Jul, 2024 Reviewers invited by journal 01 Jul, 2024 Editor assigned by journal 25 Jun, 2024 Submission checks completed at journal 25 Jun, 2024 First submitted to journal 24 Jun, 2024 Unknown event 13 Jun, 2024 You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. 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Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-4542338","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":321344054,"identity":"0f3e07e4-ceb6-4653-be46-5bc3aeb74337","order_by":0,"name":"Nicolas 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1","display":"","copyAsset":false,"role":"figure","size":344501,"visible":true,"origin":"","legend":"\u003cp\u003eVisualiza\u0026amp;on of the different scales of the human liver. From leL to right: the organ scale (cm),\u003c/p\u003e\n\u003cp\u003ethe liver; the func\u0026amp;onal scale (mm), the lobule and the cellular scale (μm) with hepatocytes in beige,\u003c/p\u003e\n\u003cp\u003estellate cells in blue, Kupfer cells in orange and endothelial cells in pink.\u003c/p\u003e","description":"","filename":"Figure1XXXVisualizationofthedifferentscalesofthehumanliver.png","url":"https://assets-eu.researchsquare.com/files/rs-4542338/v1/e86556fbdcd99cc3e44e1441.png"},{"id":61005243,"identity":"de49608a-b24e-4f3c-8379-3e6de446c558","added_by":"auto","created_at":"2024-07-24 13:43:28","extension":"png","order_by":2,"title":"Figure 2","display":"","copyAsset":false,"role":"figure","size":267536,"visible":true,"origin":"","legend":"\u003cp\u003eVirtual Lobule APAP injury computa\u0026amp;onal pipeline. Green blocks depict input to the pipeline.\u003c/p\u003e\n\u003cp\u003eThe orange block represents the CFD component. The Blue block represents the cellular injury model.\u003c/p\u003e\n\u003cp\u003eThe grey boxes depict the data exchange between blocks. The red block represents the output of the\u003c/p\u003e\n\u003cp\u003ecomputa\u0026amp;onal pipeline.\u003c/p\u003e","description":"","filename":"Figure2VirtualLobuleAPAPinjurypipeline.png","url":"https://assets-eu.researchsquare.com/files/rs-4542338/v1/d80292dfb34cc041ee895165.png"},{"id":61006486,"identity":"c7c17d88-70a6-4699-a9c3-08c1fbb2b0e7","added_by":"auto","created_at":"2024-07-24 13:51:28","extension":"png","order_by":3,"title":"Figure 3","display":"","copyAsset":false,"role":"figure","size":377556,"visible":true,"origin":"","legend":"\u003cp\u003eHexagonal representa\u0026amp;on of the human lobule and zona\u0026amp;on. a) Geometry of the lobule model\u003c/p\u003e\n\u003cp\u003edepic\u0026amp;ng the zone boundaries. Red circle represents the portal veins (pressure inlet). The blue circle\u003c/p\u003e\n\u003cp\u003erepresents the central vein (pressure outlet). Three shades of beige depict the three lobular zones 1\u003c/p\u003e\n\u003cp\u003ethrough 3. b) Depic\u0026amp;on of metabolic zona\u0026amp;on from the portal vein to the central vein driven by the\u003c/p\u003e\n\u003cp\u003eoxygen gradient.\u003c/p\u003e","description":"","filename":"Figure3XXXAGeometryofthelobulemodelwithzonelimits.BMetaboliczonationwithinthelobule.png","url":"https://assets-eu.researchsquare.com/files/rs-4542338/v1/e39da90fd5ed9d28f7463cae.png"},{"id":61005247,"identity":"4671569c-1376-4c66-b658-6bc2c1a72779","added_by":"auto","created_at":"2024-07-24 13:43:28","extension":"png","order_by":4,"title":"Figure 4","display":"","copyAsset":false,"role":"figure","size":1398240,"visible":true,"origin":"","legend":"\u003cp\u003eAPAP, GSH and NAPQI quan\u0026amp;ty evolu\u0026amp;on in the lobules for pa\u0026amp;ent B. a) Evolu\u0026amp;on of the\u003c/p\u003e\n\u003cp\u003equan\u0026amp;ty of APAP entering hepatocytes (mol). b) Evolu\u0026amp;on of the quan\u0026amp;ty of GSH in hepatocytes (mol). c)\u003c/p\u003e\n\u003cp\u003eEvolu\u0026amp;on of the quan\u0026amp;ty of NAPQI generated in hepatocytes (mol). d) Heatmaps showing the quan\u0026amp;ty of\u003c/p\u003e\n\u003cp\u003eAPAP, GSH and NAPQI in the whole lobule. Red circle represents the portal veins (pressure inlet). The\u003c/p\u003e\n\u003cp\u003eblue circle represents the central vein (pressure outlet).\u003c/p\u003e","description":"","filename":"Figure4APAPGSHandNAPQIquantityevolutioninthelobulesforpatientB.png","url":"https://assets-eu.researchsquare.com/files/rs-4542338/v1/6250c05eb9e64b132d6a846f.png"},{"id":61007513,"identity":"bf91dc1c-2ff6-49bd-8a99-1be5184d360f","added_by":"auto","created_at":"2024-07-24 13:59:28","extension":"png","order_by":5,"title":"Figure 5","display":"","copyAsset":false,"role":"figure","size":1301956,"visible":true,"origin":"","legend":"\u003cp\u003eAPAP, GSH and NAPQI quan\u0026amp;ty evolu\u0026amp;on in the lobules for pa\u0026amp;ent C. a) Evolu\u0026amp;on of the\u003c/p\u003e\n\u003cp\u003equan\u0026amp;ty of APAP entering hepatocytes (mol). b) Evolu\u0026amp;on of the quan\u0026amp;ty of GSH in hepatocytes (mol). c)\u003c/p\u003e\n\u003cp\u003eEvolu\u0026amp;on of the quan\u0026amp;ty of NAPQI generated in hepatocytes (mol). d) Heatmaps showing the quan\u0026amp;ty of\u003c/p\u003e\n\u003cp\u003eAPAP, GSH and NAPQI in the whole lobule. Red circle represents the portal veins (pressure inlet). The\u003c/p\u003e\n\u003cp\u003eblue circle represents the central vein (pressure outlet).\u003c/p\u003e","description":"","filename":"Figure5APAPGSHandNAPQIquantityevolutioninthelobulesforpatientC.png","url":"https://assets-eu.researchsquare.com/files/rs-4542338/v1/6197038b3e3db9b84574c115.png"},{"id":61006485,"identity":"fca6546a-5137-4254-a178-50eb7407e039","added_by":"auto","created_at":"2024-07-24 13:51:28","extension":"png","order_by":6,"title":"Figure 6","display":"","copyAsset":false,"role":"figure","size":2919499,"visible":true,"origin":"","legend":"\u003cp\u003eLobular hepatocyte damage predic\u0026amp;on maps over \u0026amp;me for pa\u0026amp;ents A, B, C, and D showing the\u003c/p\u003e\n\u003cp\u003ehepatocyte health status (Healthy in beige, Damaged in brown, Necrosed in purple, or Regenerated in\u003c/p\u003e\n\u003cp\u003epink). Red circle represents the portal veins (pressure inlet). The blue circle represents the central vein\u003c/p\u003e\n\u003cp\u003e(pressure outlet).\u003c/p\u003e","description":"","filename":"Figure6LobuledamagemapsforpatientsABCandDshowingthehepatocytestatus.png","url":"https://assets-eu.researchsquare.com/files/rs-4542338/v1/d0ba718a33e73e33d6eea6e8.png"},{"id":61005248,"identity":"5612e1d0-4553-4658-9a80-093b51e9d72d","added_by":"auto","created_at":"2024-07-24 13:43:28","extension":"png","order_by":7,"title":"Figure 7","display":"","copyAsset":false,"role":"figure","size":211760,"visible":true,"origin":"","legend":"\u003cp\u003eSta\u0026amp;s\u0026amp;cal comparisons between zona\u0026amp;on and no-zona\u0026amp;on model for pa\u0026amp;ents B and D.\u003c/p\u003e\n\u003cp\u003eSpecifically, comparing hepatocyte health across each zone at 18 and 58 hours aLer APAP inges\u0026amp;on\u003c/p\u003e\n\u003cp\u003e(Healthy in beige, Damaged in brown, Necrosed in purple, or Regenerated in pink. a) Zone 1, b) Zone 2,\u003c/p\u003e\n\u003cp\u003ec) Zone 3 and d) all Zones for pa\u0026amp;ent B. e) Zone 1, f) Zone 2, g) Zone 3 and h) all Zones for pa\u0026amp;ent D.(*\u003c/p\u003e\n\u003cp\u003ep\u0026lt;0.05, ** p\u0026lt;0.01, *** p \u0026lt; 0.001)\u003c/p\u003e","description":"","filename":"Figure7XXXStatisticalcomparisonsofhepatocytehealthacrosseachzoneat18and58hoursafterAPAPingestionforsubjectsBandD.png","url":"https://assets-eu.researchsquare.com/files/rs-4542338/v1/4bb380322abc13fe48271b36.png"},{"id":70086358,"identity":"2cee5d17-7814-4f7f-8ab5-b5af6491cee2","added_by":"auto","created_at":"2024-11-28 08:11:25","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":3461865,"visible":true,"origin":"","legend":"","description":"","filename":"CamaraDitPinto2024V2.pdf","url":"https://assets-eu.researchsquare.com/files/rs-4542338/v1_covered_fab4b656-cc11-41ce-9746-f03d129bf44c.pdf"}],"financialInterests":"There is a conflict of interest\nSteven M. Levine is a Dassault Systemes employee. John M.Vierling is a member of IQDILI and the NIH NIDDK Drug-Induced Liver Injury Network Data Safety and Management Board. Nicolas R. Gallo has served as a consultant for Dassault Systemes. The remaining authors declare no competing interests.","formattedTitle":"Developing a Multi-Scale Virtual Twin of the Liver: Modeling Drug-Induced Injury at the Lobular Scale","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":false,"highlight":"","institution":"","isAcceptedByJournal":true,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"npj-digital-medicine","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"npjdigitalmed","sideBox":"Learn more about [npj Digital Medicine](http://www.nature.com/npjdigitalmed/)","snPcode":"41746","submissionUrl":"https://submission.springernature.com/new-submission/41746/3","title":"npj Digital Medicine","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"stoa","reportingPortfolio":"NPJ","inReviewEnabled":true,"inReviewRevisionsEnabled":true},"keywords":"","lastPublishedDoi":"10.21203/rs.3.rs-4542338/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-4542338/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"Addressing drug-induced liver injury is crucial in drug development, often causing Phase III trial failures and market withdrawals. Traditional animal models fail to predict human liver toxicity accurately. Virtual twins of human organs present a promising solution. We introduce the Virtual Lobule, a foundational element of The Living Liver, a multi-scale liver virtual twin. This model integrates blood flow dynamics and an acetaminophen-induced injury model to predict hepatocyte injury patterns specific to patients. By incorporating metabolic zonation, our predictions align with clinical zonal hepatotoxicity observations. This methodology advances the development of a human liver virtual twin, aiding in the prediction and validation of drug-induced liver injuries.","manuscriptTitle":"Developing a Multi-Scale Virtual Twin of the Liver: Modeling Drug-Induced Injury at the Lobular Scale","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2024-07-24 13:43:23","doi":"10.21203/rs.3.rs-4542338/v1","editorialEvents":[{"type":"communityComments","content":0},{"type":"decision","content":"revise","date":"2024-08-12T13:53:52+00:00","index":"","fulltext":""},{"type":"editorInvitedReview","content":"This content is not available.","date":"2024-07-24T16:19:07+00:00","index":3,"fulltext":"This content is not available."},{"type":"reviewerAgreed","content":"This content is not available.","date":"2024-07-10T14:54:56+00:00","index":3,"fulltext":"This content is not available."},{"type":"reviewerAgreed","content":"This content is not available.","date":"2024-07-10T12:42:30+00:00","index":2,"fulltext":"This content is not available."},{"type":"editorInvitedReview","content":"This content is not available.","date":"2024-07-03T03:19:36+00:00","index":1,"fulltext":"This content is not available."},{"type":"reviewerAgreed","content":"This content is not available.","date":"2024-07-01T21:52:14+00:00","index":1,"fulltext":"This content is not available."},{"type":"reviewersInvited","content":"","date":"2024-07-01T17:00:07+00:00","index":"","fulltext":""},{"type":"editorAssigned","content":"","date":"2024-06-25T19:51:09+00:00","index":"","fulltext":""},{"type":"checksComplete","content":"","date":"2024-06-25T08:54:41+00:00","index":"","fulltext":""},{"type":"submitted","content":"npj Digital Medicine","date":"2024-06-24T16:26:33+00:00","index":"","fulltext":""},{"type":"checksFailed","content":"","date":"2024-06-13T16:50:54+00:00","index":"","fulltext":""}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"npj-digital-medicine","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"npjdigitalmed","sideBox":"Learn more about [npj Digital Medicine](http://www.nature.com/npjdigitalmed/)","snPcode":"41746","submissionUrl":"https://submission.springernature.com/new-submission/41746/3","title":"npj Digital Medicine","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"stoa","reportingPortfolio":"NPJ","inReviewEnabled":true,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"da020e9e-c508-48dc-8cce-35023c0f23ec","owner":[],"postedDate":"July 24th, 2024","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"published-in-journal","subjectAreas":[{"id":33974094,"name":"Health sciences/Medical research/Translational research"},{"id":33974095,"name":"Physical sciences/Mathematics and computing/Computational science"},{"id":33974096,"name":"Biological sciences/Computational biology and bioinformatics/Computational models"},{"id":33974097,"name":"Biological sciences/Drug discovery/Toxicology"}],"tags":[],"updatedAt":"2024-11-28T08:11:09+00:00","versionOfRecord":{"articleIdentity":"rs-4542338","link":"https://doi.org/10.1038/s41746-024-01349-5","journal":{"identity":"npj-digital-medicine","isVorOnly":false,"title":"npj Digital Medicine"},"publishedOn":"2024-11-28 05:00:00","publishedOnDateReadable":"November 28th, 2024"},"versionCreatedAt":"2024-07-24 13:43:23","video":"","vorDoi":"10.1038/s41746-024-01349-5","vorDoiUrl":"https://doi.org/10.1038/s41746-024-01349-5","workflowStages":[]},"version":"v1","identity":"rs-4542338","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-4542338","identity":"rs-4542338","version":["v1"]},"buildId":"qtupq5eGEP_6zYnWcrvyt","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}