Network Pharmacology and Molecular Docking Reveal the Antioxidant Potential of Mangiferin from Mango Peel

Background: As one of the main by-products of mango production, the mango peel is rich in multiple polyphenols, such as mangiferin. Therefore, there is an urgent need to explore the potential mechanism of mangiferin for nutrition intervention of oxidative stress-related diseases. Methods: Mangiferin was extracted and purified from the mango peel and was identified by the reverse phase high-performance liquid chromatography. The antioxidant potential of mangiferin was determined in vitro (potassium ferricyanide reducing capacity, DPPH, hydroxyl radicals scavenging ability, and superoxide anion radicals reducing capacity). In order to explore the potential mechanism for the antioxidant activity of mangiferin, a combination of network pharmacology and molecular docking approaches was performed. Results: The purity of mangiferin from the mango peel was ≥ 95.0%, and its antioxidant activity was confirmed by different in vitro assays. ALB, ESR1, CASP8, CASP3, BCL2L1, CXCL8, AKT1, CTNNB, and EGFR were identified as the potential oxidative stress-related targets of mangiferin. These results suggested that mangiferin might play a key role in the antioxidant process through multi-targets. Conclusion: Integrated with network pharmacology and molecular docking methods, this work demonstrated the potential mechanism of mangiferin for nutrition intervention of oxidative stress-related diseases.