Network Pharmacology and Molecular Docking Approaches to Illustrate the Potential Targets and Mechanisms of Action of Green Tea Catechins Against Cataract
摘要
The present research explores the potential anticataract effects of green tea catechins using network pharmacology and molecular docking approaches. It is the first to identify the key phytoconstituents within the green tea catechins and their key targets for their anticataract mechanism. To validate the hypothesis, first, we investigated the anticataract activity of green tea extract against hydrogen peroxide-induced experimental cataract in goat lenses. Fortunately, green tea extract exhibited anticataract activity by restoring the lenticular oxidative stress. The network pharmacology and molecular docking results revealed that epigallocatechin gallate and epicatechin gallate are the most significant phytoconstituents, demonstrating the highest interaction and binding affinity to the core targets such as NFKB1, PTPN11, STAT1, CDK5, and PRKACA. Molecular dynamics study further validated these results. Moreover, results emphasize that insulin resistance is the most important cataract-related pathway. Although the present study is limited to the in-silico approaches, it lays a path for future research to validate these findings further and explore the therapeutic potential of green tea catechins in the management of cataract. Overall, this research provides valuable insights into the mechanism of green tea catechins that may contribute to the prevention and management of cataract.
Graphical Abstract