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A Quantum-Chemical Approach to Develop Tetrahydroquinoxaline as Potent Ferroptosis Inhibitors
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  • Hong-Xu Lei,
  • KaiLi Zhang,
  • Yu-Xi Qin,
  • rongjian dong,
  • Dezhan Chen,
  • HaiFeng Zhou,
  • xiehuang sheng
Hong-Xu Lei
Shandong Normal University
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KaiLi Zhang
China Three Gorges University
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Yu-Xi Qin
Shandong Normal University
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rongjian dong
Pingyang center for food and drug control, Wenzhou
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Dezhan Chen
Shandong Normal University
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HaiFeng Zhou
China Three Gorges University
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xiehuang sheng
Shandong Normal University
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Peer review status:UNDER REVIEW

03 Jul 2020Submitted to International Journal of Quantum Chemistry
03 Jul 2020Assigned to Editor
03 Jul 2020Submission Checks Completed
06 Jul 2020Reviewer(s) Assigned

Abstract

Ferroptosis is a recently characterized form of regulated necrosis with the iron-dependent accumulation of (phospho)lipid hydroperoxides (LOOH). It has attracted considerable attention for its putative involvement in diverse pathophysiological processes, such as cardiovascular disease and neurodegeneration. Here we describe the discovery of tetrahydroquinoxaline, a novel scaffold of ferroptosis inhibitors based on quantum chemistry methods. Tetrahydroquinoxaline deviates showed very good inhibition of ferroptosis, while being non cytotoxic for human cancer cells. And, the advantage of them is their small molecular weight (MW. = 148 Da) that can be coupled with other drugs to form multi-target drugs to better meet the treatment of complicated diseases.