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Rational Design of Metal-Organic Frameworks for Pancreatic Cancer Therapy

2025-02-02Artigo científico Acesso aberto
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dc.contributor.authorMelle, Francesca
dc.contributor.authorMenon, Dhruv
dc.contributor.authorConniot, João
dc.contributor.authorOstolaza-Paraiso, Jon
dc.contributor.authorMercado, Sergio
dc.contributor.authorOliveira, Jhenifer
dc.contributor.authorChen, Xu
dc.contributor.authorMendes, Bárbara B
dc.contributor.authorConde, João
dc.contributor.authorConde, João
dc.contributor.authorFairen-Jimenez, David
dc.contributor.institutionNOVA Medical School|Faculdade de Ciências Médicas (NMS|FCM)
dc.contributor.institutionComprehensive Health Research Centre (CHRC) - pólo NMS
dc.contributor.pblJohn Wiley & Sons, Ltd.
dc.date.accessioned2025-02-10T21:19:28Z
dc.date.available2025-02-10T21:19:28Z
dc.date.issued2025-02-02
dc.description© 2025 The Author(s). Advanced Materials published by Wiley‐VCH GmbH.
dc.description.abstractDespite improvements in cancer survival rates, metastatic and surgery-resistant cancers, such as pancreatic cancer, remain challenging, with poor prognoses and limited treatment options. Enhancing drug bioavailability in tumors, while minimizing off-target effects, is crucial. Metal-organic frameworks (MOFs) have emerged as promising drug delivery vehicles owing to their high loading capacity, biocompatibility, and functional tunability. However, the vast chemical diversity of MOFs complicates the rational design of biocompatible materials. This study employed machine learning and molecular simulations to identify MOFs suitable for encapsulating gemcitabine, paclitaxel, and SN-38, and identified PCN-222 as an optimal candidate. Following drug loading, MOF formulations are improved for colloidal stability and biocompatibility. In vitro studies on pancreatic cancer cell lines have shown high biocompatibility, cellular internalization, and delayed drug release. Long-term stability tests demonstrated a consistent performance over 12 months. In vivo studies in pancreatic tumor-bearing mice revealed that paclitaxel-loaded PCN-222, particularly with a hydrogel for local administration, significantly reduced metastatic spread and tumor growth compared to the free drug. These findings underscore the potential of PCN-222 as an effective drug delivery system for the treatment of hard-to-treat cancers.en
dc.description.versionpublishersversion
dc.description.versionepub_ahead_of_print
dc.format.extent9349621
dc.identifier.doi10.1002/adma.202412757
dc.identifier.issn0935-9648
dc.identifier.otherPURE: 109175669
dc.identifier.otherPURE UUID: b588211a-d9e6-47c5-ba31-930b070626ad
dc.identifier.otherPubMed: 39895194
dc.identifier.otherScopus: 85216550870
dc.identifier.urihttp://hdl.handle.net/10362/178773
dc.language.isoeng
dc.peerreviewedyes
dc.subjectdrug delivery
dc.subjectmachine learning
dc.subjectmetal–organic frameworks
dc.subjectpancreatic cancer
dc.subjectporous materials
dc.subjectSDG 3 - Good Health and Well-being
dc.titleRational Design of Metal-Organic Frameworks for Pancreatic Cancer Therapyen
dc.title.subtitlefrom Machine Learning Screening to In Vivo Efficacyen
dc.typejournal article
degois.publication.titleAdvanced Materials
dspace.entity.typePublication
person.familyNameConde
person.givenNameJoão
person.identifier807432
person.identifier.ciencia-idA71C-B10E-255E
person.identifier.orcid0000-0001-8422-6792
person.identifier.ridF-2231-2011
person.identifier.scopus-author-id56992468300
rcaap.rightsopenAccess
relation.isAuthorOfPublication33ca4178-1b25-4b5e-ae16-b2500abe4c58
relation.isAuthorOfPublication.latestForDiscovery33ca4178-1b25-4b5e-ae16-b2500abe4c58

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