Computational Docking Study of Mangiferin with Human Umbilical Cord and Umbilical Cord Derived Exosomal Protein Targets

Colorectal cancer is one of the leading causes of cancer-related mortality worldwide,
highlighting the need for improved therapeutic strategies. Natural bioactive compounds have
gained attention due to their diverse pharmacological activities and lower toxicity.
Mangiferin, a xanthone glycoside from Mangifera indica, is known for its antioxidant, anti
inflammatory, and anticancer properties. In regenerative medicine, human umbilical cord
derived mesenchymal stem cells and their extracellular vesicles (exosomes) play an important
role in cell communication and therapeutic applications. These vesicles contain proteins and
signaling molecules that can influence cellular processes. Therefore, the present study aims to
evaluate the molecular interaction between mangiferin and selected human umbilical cord
and umbilical cord-derived exosomal protein targets using in-silico molecular docking
analysis.
Methods The three-dimensional structure of mangiferin was obtained from chemical
databases and prepared as the ligand for docking analysis. Protein structures related to human
umbilical cord tissues and umbilical cord-derived exosomes were retrieved from protein
databases. Molecular docking studies were carried out using AutoDock-based computational
tools to determine binding affinity and interaction patterns between mangiferin and the
selected protein targets. The docked complexes were further analyzed using molecular
visualization software to identify binding energy values, hydrogen bond interactions, and
amino acid residues involved in ligand–protein binding.
Results Docking results indicated that mangiferin exhibited stable binding interactions with
several human umbilical cord and exosome-associated protein targets. The ligand
demonstrated favorable binding energies and formed multiple hydrogen bonds and
hydrophobic interactions within the active sites of the proteins, suggesting strong molecular
affinity and stable ligand–protein complexes.
Conclusion This in-silico docking study indicates that mangiferin interacts with human
umbilical cord and exosomal protein targets, suggesting potential relevance in regenerative,
exosome-based therapeutic approaches and supporting further studies on its possible role in
cancer research