Exploring Squalene and Rhodoxanthin from Hylocereus undatus as a Therapeutic Agent for the Treatment of Human Liver Cancer using Docking Analysis

Abstract

Introduction: The dragon fruit H. undatus contains several active phyto-compounds, which act as good antioxidant, anti-inflammatory, and anti-cancer agents. To explore the apoptotic potential of these phyto-compounds, it would be apt to screen the interaction of these compounds with apoptotic proteins via., in silico docking studies. Method: The current study was planned to evaluate the docking interaction of selected GC-MS spectrum components from H. undatus(squalene and rhodoxanthin) with apoptotic proteins (AIF, Apaf-1, BAK, caspase 8, and RIP) by PatchDock docking algorithm. Results: The docking interaction showed that rhodoxanthin docks well with apoptotic proteins, and rhodoxanthin is recommended by the Lipinski rule as the best treatment for liver cancer. Conclusion: The application of rhodoxanthin as a potential and natural therapeutic agent to cure diseases is validated by docking results.