Molecular Docking Studies of Selected Phytochemicals as Potent Inhibitors for Parkinson’s Disease: Approach to Anti-Parkinson’s Drug

By : Shubham A Ghadge, Priyankal D Sharma, Ananya R Chavan

Page No: 429-436

Abstract
Parkinson’s Disease (PD) is neurodegenerative condition where persons suffers because of neuronal death caused by depleted dopamine levels which is neurotransmitter responsible for functioning of brain in substantia nigra (SN) part of mid-brain. To minimize this depletion of dopamine, phytochemicals having neuroprotective and antioxidant properties are studied. According to literature search 38 phytochemicals were selected showing neuroprotective and antioxidant properties. With molecular docking approach phytochemicals were docked against 6 selected Biological markers which are COMT, MAO-B, PINK1, BACE1, Alpha- synuclein, E3-PARKIN for Parkinson’s. The protein-ligand docking was performed using PyRx 0.8. Further interaction visualized on Discovery Studio Visualizer 21.1.0. The ligand Chrysin, Bicuculline and Hesperetin were showing best binding score against protein target. This docking study showed various protein-ligand interactions with varying binding energies. With some research, the best scored ligands can be used further to study their effects on in-vivo and in-vitro models.

Authors :
Shubham A Ghadge, Priyankal D Sharma and Ananya R Chavan
Department of FYIC Bioanalytical Sciences (GNIRD), Guru Nanak Khalsa College of Arts, Science and Commerce (Autonomous), Mumbai, India.
 

DOI: https://doi.org/10.32381/JPSR.2022.38.01.46