​Investigating the binding affinity between the A2AR receptor and its ligand to produce potential treatment for Parkinson’s disease through computational molecular docking

Molecular docking is an advanced technique allowing researchers and scientists to get a better understanding of molecular dynamics among drug molecules to support drug design. In this experiment, it studies how adenosine A2AR receptor, which is linked to Parkinson and Alzheimer’s diseases, and its antagonist- Compound 1 can bind to one another at a preferred orientation using CB-Dock, showing potential improvements for neurodegenerative diseases.​