ArticleThe Yale journal of biology and medicine2026
Computational Investigation of Flavonoid-Associated Molecular Pathways in Astrogliosis Modulation.
Article in The Yale journal of biology and medicine, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Astrogliosis is characterized by an abnormal increase in the number of astrocytes in the brain due to damage, trauma, infection, ischemia, stroke, autoimmune responses, or neurodegenerative disorders. Glial Fibrillary Acidic Protein (GFAP) is a marker for astrocyte development and astrogliosis. Flavonoids have unclear anti-neuroinflammatory effects in astrogliosis. This computational analysis was the first to investigate the potential interaction between flavonoids and the transcription factors involved in GFAP expression. Using AutoDock Vina, 60 flavonoids with known anti-inflammatory properties were docked to 26 proteins involved in GFAP expression. Toxicities of the flavonoids were predicted using the ProtoxII server, and drug-likeness and pharmacokinetic properties were assessed using the DruLiTo and pkCSM software, respectively. BIOVIA Discovery Studio software was used to evaluate the interactions between flavonoids and target proteins. Among the studied flavonoids, biochanin A, bavachin, apigenin, epicatechin, wogonin, kaempferol, hispidulin, genistein, farrerol, diosmetin, and daidzein displayed drug-like properties, no toxicity, favorable pharmacokinetic properties, and better docking scores for Janus Kinase 1 (JAK1), Janus Kinase 2 (JAK2), I Kappa B Kinase (I-κKB), Serine/Threonine Kinase (AKT), and Histone Acetyltransferase (P300). This
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