Investigating the Mechanism of Action of Qiju Dihuang Pill in Cataract Treatment by Network Pharmacology and Molecular Docking

Abstract

Abstract: Objective: To investigate the pharmacological mechanism of action of Qiju DiHuang Pill in treating cataracts using network pharmacology and molecular docking techniques. Methods: TCMSP and Swiss Target Prediction databases were used to screen active components and targets, and the Genecards database was used to collect cataract disease targets, the network diagram of“Compound-traditional Chinese medicine-active ingredients-potential targets” was constructed by Venny, STRING, Cytoscape and other tools, and GO enrichment and KEGG pathway enrichment analysis were carried out. Molecular docking experiments verified the binding ability of some core targets with active components. Results: 60 active components, 731 action targets, and 2057 disease targets from Qiju Dihuang Pill. Using Venny analysis to obtain 135 common targets, and constructing a protein interactions network (PPI), 30 core targets were screened out, including BCL2, AKT1, HIF1A, and so on. GO and KEGG enrichment analyses showed that the key pathways involved PI3K-Akt, apoptosis, and inflammation signaling pathways. A molecular docking assay confirmed that the binding energies of active ingredients such as kaempferol and quercetin to the core targets were lower than -6.0 kcal/mol^-1, indicating their significant binding activities. Conclusion: Qiju DiHuang Pill may play a role in the prevention and treatment of cataracts by inhibiting the abnormal proliferation and oxidative stress of lens epithelial cells through regulating PI3K-Akt-mTOR signaling pathways.