Small molecular inhibitors of NRF2 (physicochemical-, spectral-, pharmacological properties) and their binding to KEAP1 (docking studies)

Official supporting information document associated with the manuscript entitled "Pharmacological targeting of nuclear factor (erythroid-derived 2)-like 2 (NRF2) to improve the efficacy of oncological photodynamic therapy" that was submitted to Biochemical Pharmacology. The supporting document contains information on small-molecular inhibitors of NRF2 (physicochemical properties, spectral data, toxicity, posology). Furthermore, the supporting documents contains methodological details related to the computational chemical analyses (molecular dynamics and simulations) performed on the inhibitors and their interaction with KEAP1, a cellular redox sensor.