ArticleMolecular diversity2025
Network pharmacology combined with molecular docking and dynamics to assess the synergism of esculetin and phloretin against acute kidney injury-diabetes comorbidity.
Article in Molecular diversity, 2025. 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, 14 citations in OpenAlex.
- Network pharmacology, molecular docking, and In Vitro evaluation of morin against gastric cancer.Molecular diversity · 2026Article
- Esculetin Attenuates Inflammation and Fibrosis to Prevent AKI-to-CKD Transition in Adenine-Induced Renal Injury by Inhibiting the EGFR/SRC/PI3K/AKT/NF-κB Signaling Axis.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Mechanistic insights into Schisandrin C as the active anti-renal fibrosis ingredient of Schisandra chinensis: a network pharmacology analysis and transcriptomics integrated experimental verification.Naunyn-Schmiedeberg's archives of pharmacology · 2025Article
- Integrating network pharmacology and molecular modeling to decipher the anti-esophageal squamous cell carcinoma mechanisms of Bidens pilosa L.Discover oncology · 2025Article
- Narciclasine attenuates sepsis-associated acute kidney injury through the ESR1/S100A11 axis.Functional & integrative genomics · 2025Article
- Curculigoside alleviates ferroptosis in renal interstitial fibrosis by regulating the Nrf2/HO-1 signaling pathway.American journal of translational research · 2025Article
- Novel dysregulated long non-coding RNAs in the acute kidney injury-to-chronic kidney diseases transition unraveled by transcriptomic analysis.Pharmacology research & perspectives · 2024Article
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3 authors at 1 institution in 1 country.
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Abstract
Acute kidney injury (AKI) is a global health concern with high incidence and mortality, where diabetes further worsens the condition. The available treatment options are not uniformly effective against the complex pathogenesis of AKI-diabetes comorbidity. Hence, combination therapies based on the multicomponent, multitarget approach can tackle more than one pathomechanism and can aid in AKI-diabetes comorbidity management. This study aimed to investigate the therapeutic potential of esculetin and phloretin combination against AKI-diabetes comorbidity by network pharmacology followed by validation by molecular docking and dynamics. The curative targets for diabetes, AKI, esculetin, and phloretin were obtained from DisGeNET, GeneCards, SwissTargetPrediction database. Further, the protein-protein interaction of the potential targets of esculetin and phloretin against AKI-diabetes comorbidity was investigated using the STRING database. Gene ontology and pathway enrichment analysis were performed with the help of the DAVID and KEGG databases, followed by network construction and analysis via Cytoscape. Molecular docking and dynamic simulations were performed to validate the targets of esculetin and phloretin against AKI-diabetes comorbidity. We obtained 6341 targets for AKI-diabetes comorbidity. Further, a total of 54 and 44 targets of esculetin and phloretin against AKI-diabetes comorbidity were retrieved. The top 10 targets for esculetin selected based on the degree value were AKR1B1, DAO, ESR1, PLK1, CA3, CA2, CCNE1, PRKN, HDAC2, and MAOA. Similarly, phloretin's 10 key targets were ACHE, CDK1, MAPK14, APP, CDK5R1, CCNE1, MAOA, MAOB, HDAC6, and PRKN. These targets were enriched in 58 pathways involved in the pathophysiology of AKI-diabetes comorbidity. Further, esculetin and phloretin showed an excellent binding affinity for these critical targets. The findings of this study suggest that esculetin and phloretin combination as a multicomponent multitarget therapy has the potential to prevent AKI-diabetes comorbidity.
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