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Exploiting Blood Transport Proteins as Carborane Supramolecular Vehicles for Boron Neutron Capture Therapy

Carboranes are promising agents for applications in boron neutron capture therapy (BNCT), but their hydrophobicity prevents their use in physiological environments. Here, by using reverse docking and molecular dynamics (MD) simulations, we identified blood transport proteins as candidate carriers of...

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Principais autores: Tainah Dorina Marforio, Edoardo Jun Mattioli, Francesco Zerbetto, Matteo Calvaresi
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2023-05-01
Serier:Nanomaterials
Fag:
carborane
boron neutron capture therapy (BNCT)
virtual screening
docking
reverse docking
MD simulations
Online adgang:https://www.mdpi.com/2079-4991/13/11/1770
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