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https://hdl.handle.net/10316/90813
Título: | Hierarchical design of hyaluronic acid-peptide constructs for glioblastoma targeting: Combining insights from NMR and molecular dynamics simulations | Autor: | Mendes, Maria Cova, Tânia Basso, João Ramos, M. Luísa Vitorino, Rui Sousa, João Pais, Alberto Vitorino, Carla |
Palavras-chave: | Hyaluronic acid; c(RGDfK); H7k(R2)2; Polymer-peptide conjugates; Glioblastoma | Data: | 2020 | Editora: | Elsevier | Projeto: | POCI-01-0145-FEDER- 016648 IF/00286/2015 UID/BIM/04501/2019 POCI-01-0145-FEDER-007628 UID/IC/00051/2019 SFRH/BD/133996/2017 SFRH/BD/149138/2019 info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UID/NEU/04539/2013/PT UIDB/00313/2020 |
Título da revista, periódico, livro ou evento: | Journal of Molecular Liquids | Volume: | 315 | Resumo: | The main bottleneck of glioblastoma still relies on the existence of the blood brain-blood brain tumor dual barrier, along with the lack of therapy specificity. The present work deals with the question of whether (and how) different targeting hyaluronic acid (HA)-peptide [c(RGDfK) and/or H7K(R2)2] moieties hierarchically interact with each other, to ensure a unique entity with specificity to glioblastoma. A dual experimental-computational approach, encompassing nuclear magnetic resonance and molecular dynamics simulations is enclosed. Relevant contact patterns based on the identification of the stabilizing/destabilizing noncovalent interactions within the constructs are detailed. The synthesis pathway requires the HA-c(RGDfK)-H7k(R2)2 association hierarchy, stemming from the size and amino acid residue rearrangement, in the 1:1 M ratio, to obtain a stable conjugate ultimately able to interact with the tumor cell membrane. To our knowledge, the structural and mechanistic rationale for the formation of hybrid polymer-peptide constructs, including HA-c(RGDfK)-H7k(R2)2, for glioblastoma has not been addressed so far. | URI: | https://hdl.handle.net/10316/90813 | ISSN: | 01677322 | DOI: | 10.1016/j.molliq.2020.113774 | Direitos: | openAccess |
Aparece nas coleções: | I&D CQC - Artigos em Revistas Internacionais |
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