Computational Tool to Design Small Synthetic Inhibitors Selective for XIAP-BIR3 Domain

Computational Tool to Design Small Synthetic Inhibitors Selective for XIAP-BIR3 Domain

X-linked inhibitor of apoptosis protein (XIAP) exercises its biological function by locking up and inhibiting essential caspase-3, -7 and -9 toward apoptosis execution. It is overexpressed in multiple human cancers, and it plays an important role in cancer cells’ death skipping. Inhibition of XIAP-B...

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Bibliographic Details
Main Authors: Marc Farag, Charline Kieffer, Nicolas Guedeney, Anne Sophie Voisin-Chiret, Jana Sopkova-de Oliveira Santos
Format: Article
Language:English
Published: MDPI AG 2023-06-01
Series:Molecules
Subjects:
XIAP-BIR3
synthetic inhibitor
molecular dynamics
MM-PBSA free energy prediction
3D Pharmacophore
Online Access:https://www.mdpi.com/1420-3049/28/13/5155

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https://www.mdpi.com/1420-3049/28/13/5155

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