Molecular Docking Study of Flavonoids to Block the Aryl Hydrocarbon Receptor

Abstract

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Food-Borne Polycyclic Aromatic Hydrocarbons and Circadian Disruption

“… 125 Notably, fisetin showed the greatest blocking capability among the studied flavonoids, and more importantly resveratrol, a member of the stilbene family, also showed a probability of blockage of 30%, suggesting the potential of stilbenoids to suppress the transcriptional ability of AhR. 125 …”

“…125 Notably, fisetin showed the greatest blocking capability among the studied flavonoids, and more importantly resveratrol, a member of the stilbene family, also showed a probability of blockage of 30%, suggesting the potential of stilbenoids to suppress the transcriptional ability of AhR. 125 Chronic activation of AhR has been found to promote the expression of resistant genes to the inhibitor of cutaneous melanoma, which may subsequently lead to aggressive tumors. The addition of resveratrol in treatment with the inhibitor could effectively reduce the number of resistant cells by inhibiting AhR activation, delaying tumor growth.…”

“…124 A molecular docking study screened a list of flavonoids and showed that some could possess blocking capacities for AhR-ARNT heterodimer formation up to 50−60%, while most of the studied flavonoids interact with AhR and ARNT to some extent. 125 Notably, fisetin showed the greatest blocking capability among the studied flavonoids, and more importantly resveratrol, a member of the stilbene family, also showed a probability of blockage of 30%, suggesting the potential of stilbenoids to suppress the transcriptional ability of AhR. 125 Chronic activation of AhR has been found to promote the expression of resistant genes to the inhibitor of cutaneous melanoma, which may subsequently lead to aggressive tumors.…”

“…For example, one flavonoid that can be naturally found in citrus peel was reported to reduce the nuclear translocation of AhR induced by 7,12-dimethylbenz­[ a ]­anthracene (DMBA) or TCDD, as well as its downstream gene expression . A molecular docking study screened a list of flavonoids and showed that some could possess blocking capacities for AhR-ARNT heterodimer formation up to 50–60%, while most of the studied flavonoids interact with AhR and ARNT to some extent . Notably, fisetin showed the greatest blocking capability among the studied flavonoids, and more importantly resveratrol, a member of the stilbene family, also showed a probability of blockage of 30%, suggesting the potential of stilbenoids to suppress the transcriptional ability of AhR …”