What is it about?
We explored edaravone, a drug for stroke and ALS, and similar amine compounds to understand their antioxidant powers. Using lab tests and computer models, we measured how quickly they neutralize harmful free radicals via hydrogen transfer. Two analogs match edaravone's effectiveness
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Why is it important?
Our study uniquely integrates kinetic experiments with DFT modeling to elucidate the hydrogen atom transfer mechanism in edaravone and its amine analogs, revealing tautomer-specific reactivity and bond roles often overlooked. Timely amid rising ALS and stroke treatments, it highlights two analogs rivaling edaravone's potency, potentially guiding lower-toxicity drug designs to combat oxidative stress.
Perspectives
As a computational chemist at heart, working on this paper was a thrilling blend of lab kinetics and DFT wizardry—it's like solving a molecular puzzle where tautomers hold the key. I'm particularly proud of how we pinpointed the HAT mechanism, and it sparks my optimism for turning these analogs into safer drugs against oxidative stress in diseases like ALS
Dr Stanislav A. Grabovskii
Ufa Institute of Chemistry of the RAS
Read the Original
This page is a summary of: Antioxidant mechanism of Edaravone and its amine analogs: Combined kinetic and DFT study, Bioorganic Chemistry, December 2025, Elsevier,
DOI: 10.1016/j.bioorg.2025.109270.
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