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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Bibliografische Detailangaben

Hauptverfasser:	Tainah Dorina Marforio, Edoardo Jun Mattioli, Francesco Zerbetto, Matteo Calvaresi
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	MDPI AG 2023-05-01
Schriftenreihe:	Nanomaterials
Schlagworte:	carborane boron neutron capture therapy (BNCT) virtual screening docking reverse docking MD simulations
Online-Zugang:	https://www.mdpi.com/2079-4991/13/11/1770
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