Evaluation of the IKKβ Binding of Indicaxanthin by Induced-Fit Docking, Binding Pose Metadynamics, and Molecular Dynamics

• Main Authors: Mario Allegra (Author), Marco Tutone (Author), Luisa Tesoriere (Author), Alessandro Attanzio (Author), Giulia Culletta (Author), Anna Maria Almerico (Author)
• Format: Book
• Published: Frontiers Media S.A., 2021-09-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Background: Indicaxanthin, a betaxanthin belonging to the betalain class of compounds, has been recently demonstrated to exert significant antiproliferative effects inducing apoptosis of human melanoma cells through the inhibition of NF-κB as the predominant pathway. Specifically, Indicaxanthin inhi...