Mechanistic insights into the radical scavenging activity and Keap1 Nrf2 inhibition potential of selected avenanthramides using DFT and molecular dynamics studies

Abstract Avenanthramides (AVs) are phenolic alkaloids found exclusively in oats (Avena sativa) and are known for their antioxidant properties. In this study, the antioxidant potential of eight AVs (2p, 2f, 2c, 2s, 1p, 1f, 1c, and 1s) was investigated using DFT-based quantum-chemical studies and prot...

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Päätekijät:	P. C. Sumayya, Abi Thoppilan George, K. Muraleedharan
Aineistotyyppi:	Artigo
Kieli:	Inglês
Julkaistu:	Springer 2026-07-01
Sarja:	Discover Chemistry
Aiheet:	Avenanthramide Keap1 Nrf2 Molecular dynamics Transition state
Linkit:	https://doi.org/10.1007/s44371-026-00838-8
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