ArticleComputational and mathematical methods in medicine2023
Combined Network Pharmacology and Molecular Docking to Verify the Treatment of Type 2 Diabetes with
Article in Computational and mathematical methods in medicine, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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7 citing papers in PubMed, 19 citations in OpenAlex.
- Nanocomposite LL37-gold nanoparticles with puerarin for periodontitis-linked atherosclerosis.Journal of nanobiotechnology · 2026Article
- Review
- Protective effects of luteolin on high glucose-induced ferroptosis in müller cells.International ophthalmology · 2025Article
- A Network Pharmacology Study and In Vitro Evaluation of the Bioactive Compounds ofMolecules (Basel, Switzerland) · 2025Article
- Exploring the Molecular Mechanism of Niuxi-Mugua Formula in Treating Coronavirus Disease 2019Current computer-aided drug design · 2024Article
- Systematic pharmacology-based strategy to explore the mechanism of Semen Strychni for treatment of papillary thyroid carcinoma.Scientific reports · 2023Article
- Significance of methylation-related genes in diagnosis and subtype classification of renal interstitial fibrosis.Hereditas · 2023Article
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Authors and funding
10 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Objective: To explore the potential molecular mechanism of Methods: The chemical constituents and core targets of RP and RS were searched by Traditional Chinese Medicine System Pharmacology (TCMSP); target genes related to T2DM were obtained through GeneCards database, component target network diagram was constructed, intersection genes of active compounds and T2DM were synthesized, protein-protein interaction (PPI) relationship was obtained, and core targets were screened by using Cytoscape 3.7.2. Gene Ontology (GO) biological process and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway were analyzed utilizing R studio 4.0.4 according to David database. Based on molecular docking, the screened active components of RP and RS were verified by molecular docking with the core target using Discovery Studio 2019. Results: There were totally 92 components and 29 corresponding targets in the component target network of RP and RS drug pair, of which 6 were the core targets of RP and RS in the treatment of T2DM. Molecular docking results showed that the active compounds of puerarin, formononetin, tanshinone iia, and luteolin had better binding activity with AKT1, VEGFA, NOS3, PPARG, MMP9, and VCAM1, respectively. Among them, puerarin showed significant effects in activating NOS3 pathway and luteolin exhibited significant effects in activating MMP9 pathway, respectively. The main biological processes mainly including xenobiotic stimulus, response to peptide, gland development, response to radiation, cellular response to chemical stress, response to oxygen levels, and the main signal pathways include response to xenobiotic stimulus, cellular response to chemical stress, response to peptide, gland development, and response to oxygen levels. Conclusion: Network pharmacology is an effective tool to explain the action mechanism of Traditional Chinese Medicine (TCM) from the overall perspective. RP and RS pair could alleviate T2DM via the molecular mechanism predicted by the network pharmacology, which provided new ideas and further research on the molecular mechanism of T2DM.
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