Flavonoids are key bioactive compounds in plants with significant health benefits. This study employs an integrated multi-omics approach to investigate flavonoid diversity and antioxidant capacity across three Isatis species: I. oblongata, I. tinctoria, and I. indigotica. Metabolomic profiling identified 200 flavonoids, with glycosides being the most abundant class. I. tinctoria exhibited the highest total flavonoid content and antioxidant activity, strongly correlated with the accumulation of 53 core differential flavonoid metabolites, most of which were glycosylated derivatives. Transcriptomic analysis revealed coordinated upregulation of phenylpropanoid pathway genes and specific UDP-glycosyltransferases (UGTs) in I. tinctoria, providing a genetic basis for its enhanced glycoside production. The study establishes a clear genotype-metabolite-phenotype linkage, highlighting glycosylation as a key mechanism underlying flavonoid-driven antioxidant superiority in Isatis. Although the current evidence is primarily correlative, the consistent and strong associations across independent transcriptomic, metabolomic, and antioxidant datasets provide a robust foundation for this conclusion. These findings offer new insights into the metabolic evolution and regulatory networks of flavonoids, with implications for breeding and metabolic engineering of high-value medicinal plants.
Rong Chen, Yan Qing, Xiao-Shan Geng et al.· Genomics· 0 citations
Isatis indigotica (Banlangen) is a classic Traditional Chinese Medicine herbal remedy with well-documented antiviral and anti-inflammatory properties. However, the molecular mechanisms underlying its therapeutic effects against hepatitis B virus (HBV)-associated hepatic inflammation remain incompletely understood. This study aimed to systematically elucidate the multi-target regulatory mechanisms of Isatis indigotica against HBV-associated hepatic inflammation using network pharmacology and molecular simulation approaches. Bioactive compounds were screened from the TCMSP database (OB ≥ 30%, oral bioavailability; DL ≥ 0.18, drug-likeness). Candidate targets were identified by integrating SwissTargetPrediction with GeneCards/OMIM disease targets. Protein-protein interaction (PPI) network topology analysis identified hub genes. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were performed using Metascape. Molecular docking and 100 ns all-atom molecular dynamics (MD) simulation were conducted to validate compound-target binding. Seventeen bioactive compounds were identified, yielding 1,023 compound targets. Intersecting with 1,676 HBV disease targets produced 142 candidate genes. PPI network analysis identified AKT1, IL6, TP53, and TNF as hub genes, significantly enriched in NF-κB, JAK-STAT, and TNF signaling pathways (P < 0.01). Molecular docking confirmed favorable binding affinities, with IQ (6-(3-oxoindolin-2-ylidene)indolo[2,1-b]quinazolin-12-one) showing optimal binding to AKT1 (ΔG = −9.35 kcal/mol). MD simulation verified stable binding over 100 ns. This network pharmacology study suggests that Isatis indigotica acts on HBV-associated hepatic inflammation through multi-target synergistic regulation of NF-κB and JAK-STAT signaling pathways, providing mechanistic insights and potential therapeutic targets for HBV management.
Xueru Li, Yang Wang, Huijun Cheng et al.· PLoS ONE· 0 citations
We use cookies to run the site and, with your consent, for analytics and to show ads.
See our Cookie Policy.
