Beneficial Effect and Therapeutic Mechanism of Phytochemicals Present in Coccinia indica against Parkinson's Disease: A Molecular Docking Study

Abstract

Background: Parkinson's Disease (PD) is a neurodegenerative disorder that affects movement. Its major causes include genetic factors, family history, environmental factors, toxins, and pesticides. Coccinia indica exhibits promising therapeutic potential against Parkinson's disease, attributed to its rich phytochemical profile including flavonoids, flavonoid glycosides, fatty acids, phytosterols, polyphenols and triterpenoids. These compounds demonstrate antioxidative and neuroprotective properties, which mitigate oxidative stress. Aim: This study aimed to examine the beneficial effect and therapeutic mechanism of phytochemicals present in Coccinia indica against Parkinson's Disease. Materials and Methods: In this study, 3 targets, i.e. Dopamine receptor, Muscarinic acetylcholine receptor and NMDA receptor, were selected on the basis of their mechanism of action in Parkinson's disease. The docking analysis was carried out by utilising PyRx 0.8 virtual screening, and the visualisation of protein-ligand interaction was investigated by utilising the BIOVIA Discovery Studio Visualizer. Result: Docking simulation of active compounds from Coccinia indica against the Dopamine receptor shows that Quercetin (-9.8 kcal/mole), Stigmasterol (-9.7 kcal/mole) and Apigenin (-9.5 kcal/mole) have the highest binding affinity. In the characteristic binding to the Muscarinic acetylcholine receptor, Rutin (-8.5 kcal/mole), Stigmasterol (-8.3 kcal/mole) showed the highest binding affinity. Docking analysis of NMDA receptor showed impressive binding affinities of Apigenin (-9.1 kcal/mole) and Quercetin (-9.0 kcal/mole). Conclusion: On the basis of binding affinity and pharmacokinetic parameters, our findings strongly support the potential use of phytoconstituents from Coccinia indica as a medicinal herb that might be taken in daily life to manage Parkinsonism. Further, additional research, i.e. in vitro and in vivo trials on the same constituents, is required to confirm our results and the clear picture of the mechanism of action by which the medicinal plant demonstrated its anti- Parkinson's effects.