Designing multi-target-directed flavonoids: a strategic approach to Alzheimer's disease

Park, Seongmin; Kim, Mingeun; Lin, Yuxi; Hong, Mannkyu; Nam, Geewoo; Mieczkowski, Adam; Kardos, József; Lee, Young-Ho; Lim, Mi Hee

doi:10.1039/d3sc00752a

Cited by 7 publications

(1 citation statement)

References 84 publications

(166 reference statements)

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“…For example, Miličević et al have studied changes in the electronic structure of 20 flavonoids due to electrochemical oxidation and explored the relationship between the antioxidant activity and oxidation potential of 6 flavonoids more extensively [140]. An example of its use in the last 5 years is the attempt to design multi-target flavonoids to combat Alzheimer's [141]. OPDOS is instrumental in exploring interactions between fragments.…”

Section: Redox Potentialmentioning

confidence: 99%

Computational Chemistry Strategies to Investigate the Antioxidant Activity of Flavonoids—An Overview

Wang,

Li,

et al. 2024

Molecules

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Despite several decades of research, the beneficial effect of flavonoids on health is still enigmatic. Here, we focus on the antioxidant effect of flavonoids, which is elementary to their biological activity. A relatively new strategy for obtaining a more accurate understanding of this effect is to leverage computational chemistry. This review systematically presents various computational chemistry indicators employed over the past five years to investigate the antioxidant activity of flavonoids. We categorize these strategies into five aspects: electronic structure analysis, thermodynamic analysis, kinetic analysis, interaction analysis, and bioavailability analysis. The principles, characteristics, and limitations of these methods are discussed, along with current trends.

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Section: Redox Potentialmentioning

confidence: 99%

Computational Chemistry Strategies to Investigate the Antioxidant Activity of Flavonoids—An Overview

Wang,

Li,

et al. 2024

Molecules

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Nanodisc-associated acetylcholinesterase as a novel model system of physiological relevant membrane-bound cholinesterases. Inhibition by phenolic compounds

Salazar,

Dupuy,

Fiori

et al. 2024

Biochimica et Biophysica Acta (BBA) - Biomembranes

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An update on the advances in chromone and the derivatives synthesis based on the key chromone annulation of o-hydroxyaryl enaminones

Mao,

Liu,

Wan

2024

Chinese Chemical Letters

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Designing multi-target-directed flavonoids: a strategic approach to Alzheimer's disease

Abstract: The underlying causes of Alzheimer's disease (AD) remain a mystery, with multiple pathological components, including oxidative stress, acetylcholinesterase, amyloid-β, and metal ions, all playing a role. Here we report a...

Cited by 7 publications

References 84 publications

Computational Chemistry Strategies to Investigate the Antioxidant Activity of Flavonoids—An Overview

Computational Chemistry Strategies to Investigate the Antioxidant Activity of Flavonoids—An Overview

Nanodisc-associated acetylcholinesterase as a novel model system of physiological relevant membrane-bound cholinesterases. Inhibition by phenolic compounds

An update on the advances in chromone and the derivatives synthesis based on the key chromone annulation of o-hydroxyaryl enaminones

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