Forecasting the Pharmacological Mechanisms of Plumbago zeylanica and Solanum xanthocarpum in Diabetic Retinopathy Treatment: A Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation Study.

Sahu, Nilanchala; Tyagi, Rama; Kumar, Neeraj; Mujeeb, Mohd.; Akhtar, Ali; Alam, Perwez; Madan, Swati

Simple Summary: Diabetic retinopathy is a severe complication of diabetes that can lead to vision loss due to the abnormal growth of blood vessels in the retina. This study investigates how two traditional medicinal plants, Solanum xanthocarpum and Plumbago zeylanica, might be used to treat this condition. We focused on identifying the active compounds in these plants and understanding how they interact with proteins related to diabetic retinopathy. Using advanced computer simulations, we found that these plant compounds effectively bind to and influence key proteins involved in the progression of the disease. Specifically, our research highlighted that compounds from Solanum xanthocarpum and Plumbago zeylanica could target several crucial pathways and proteins associated with diabetic retinopathy. These findings suggest that these plant-derived compounds have significant potential as therapeutic agents for diabetic retinopathy. By offering a new approach to treatment, this research could help improve the vision and overall quality of life of individuals suffering from this challenging condition. (1) Background: Diabetic retinopathy (DR) is a major complication of diabetes, marked by abnormal angiogenesis, microaneurysms, and retinal hemorrhages. Traditional Ayurvedic medicine advocates multi-target strategies for DR management. However, the mechanisms by which Solanum xanthocarpum (SX) and Plumbago zeylanica (PZ) exert therapeutic effects are not well understood; (2) Methods: To investigate these mechanisms, we employed network pharmacology and molecular docking techniques. Phytochemicals from SX and PZ were identified using the IMPPAT database and Swiss Target Prediction tool. DR-related protein targets were sourced from the GeneCards database, and common targets were identified through Venn diagram analysis. STRING and Cytoscape were used to construct and analyze protein–protein interaction networks. Pathway enrichment was performed with Gene Ontology and KEGG databases; (3) Results: We identified 28 active phytoconstituents, targeting proteins such as EGFR, SRC, STAT3, AKT1, and HSP90AA1. Molecular docking and dynamics simulations confirmed the strong binding affinities of these compounds to their targets; (4) Conclusions: The study highlights the multi-target activity of SX and PZ, particularly in pathways related to EGFR tyrosine kinase inhibitor resistance and PI3K–AKT signaling. These findings provide valuable insights into their therapeutic potential for DR, suggesting the effective modulation of key molecular pathways involved in the disease.

DIABETIC retinopathy; MOLECULAR dynamics; DIABETES complications; TREATMENT effectiveness; GRAPHITE

Biology (2079-7737), 2024, Vol 13, Issue 9, p732

2079-7737

Academic Journal

10.3390/biology13090732