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

Published: 15 September 2025| Version 1 | DOI: 10.17632/hw4286gycz.1
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, Michal Heger

Description

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.

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Institutions

Categories

Toxicology, Pharmacodynamics, Photodynamic Therapy, Molecular Docking, Molecular Biopharmaceutics, Adjuvant Chemotherapy, Transcription Factor Nrf2, NRF2/KEAP1 Pathway

Funders

  • Dutch Cancer Society
    North Holland, The Netherlands
    Grant ID: 10666
  • Zhejiang Provincial Foreign Expert Program Grant
    Grant ID: 201812
  • Zhejiang Provincial Key Natural Science Foundation of China
    Grant ID: Z20H160031
  • Zhejiang Provincial Basic Public Welfare Research Project
    Grant ID: LGD21H300001
  • Science and Technology Bureau of Jiaxing
    Grant ID: 2019AY32012
  • Jiaxing Government - Jiaxing Key Laboratory for Photonanomedicine and Experimental Therapeutics
    Grant ID: 2019
  • Fundacao de Amparo a Pesquisa do Estado de Sao Paolo
    Grant ID: CNPJ 43.828.151/0001-45
  • Fundação para a Ciência e a Tecnologia
    Grant ID: SFRH/BD/140283/2018
  • Academy of Medical Sciences
    England, United Kingdom
    Grant ID: SGL027/1011
  • Chinese Scholarship Council
    Grant ID: 202108330069
  • Chinese Scholarship Council
    Grant ID: 202308320054

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