ArticlePloS one2026
Network pharmacology and molecular simulation study on the multi-target gene regulatory mechanism of Isatis indigotica against hepatic inflammation.
Article in PloS one, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
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.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.