ArticleFood science & nutrition2025
Metabolite-Based Network Pharmacology, Molecular Docking, and Dynamics Simulations to Preliminarily Verify Treating Diabetic Encephalopathy Effect of Kuwanon G.
Article in Food science & nutrition, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
What it found
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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.
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Who cites it
2 citing papers in PubMed.
- Therapeutic Potential of Kuwanon G: From Bioactivities to Network-Level Mechanisms.Molecules (Basel, Switzerland) · 2026Review
- Encephalopathy: Cause, Pathogenesis, and Treatment.MedComm · 2026Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Kuwanon G (KWG), a bioactive flavonoid from mulberry, exhibits potential neuroprotective effects against diabetic encephalopathy (DE), yet its metabolic fate and therapeutic mechanisms remain unclear. This study integrated ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS), network pharmacology, molecular docking, and dynamics simulations to characterize KWG's metabolic profile and evaluate its anti-DE activity. In vivo and in vitro analyses identified 56 metabolites in rats, predominantly formed via oxidation, dehydrogenation, methylation, and glucuronidation. Nine metabolites with high intestinal absorption and pharmacophore compatibility were selected using Swiss ADME. Network pharmacology revealed core targets (AKT1, TNF, SRC, EGFR, ESR1) linked to DE, while molecular docking demonstrated strong binding affinities (-4.87 to -43.41 kcal/mol) between active metabolites (N1, N4, N6, N8) and these targets. Dynamics simulations confirmed stable interactions, highlighting metabolites' roles in modulating PI3K-Akt signaling and neurodegeneration pathways. Notably, KWG itself exhibited negligible binding, suggesting its metabolites are the primary bioactive forms. These findings underscore the importance of gut microbiota-mediated biotransformation in enhancing KWG's bioavailability and neuroprotective efficacy. This work provides critical insights into the metabolic activation of natural products and advances their application in functional foods or therapeutics for diabetes-related complications.
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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 Socratic graph.