ArticleFrontiers in bioinformatics2026
Integrative network pharmacology and molecular modeling approaches reveal the therapeutic potential of
Article in Frontiers in bioinformatics, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Introduction: Diabetes retinopathy (DR) is a progressive microvascular complication of diabetes mellitus characterized by oxidative stress, inflammation, and neurovascular dysfunction. Current therapies provide limited efficacy, highlighting the need for multi-targeted, natural therapeutic alternatives. Methodology: A data-driven systems pharmacology approach was employed to explore the anti-DR potential of Results and Discussion: Docking studies identified Pinocembrin (SS5) and Stercurensin (SS4) as top-ranked ligands, with strong binding affinities toward SRC and ALB, respectively. MD simulations demonstrated superior structural stability for the SS5-SRC complex, whereas SS4-ALB exhibited moderate stability. MM-GBSA calculations further confirmed favorable binding energies, supporting their drug-like behavior. These multi-target interactions suggest that Conclusion:
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