Evaluation of In Silico Anti-parkinson Potential of β-asarone

Title:Evaluation of In Silico Anti-parkinson Potential of β-asarone

Volume: 18 Issue: 2

Author(s): Meenakshi Gupta, Kamal Kant, Ruchika Sharma and Anoop Kumar*

Affiliation:

• Department of Pharmacology, Indo-Soviet Friendship College of Pharmacy (ISFCP), Moga, Punjab,India

Keywords: ADME, dopamine receptors, molecular docking, parkinson's disease, toxicity, β-asarone.

Abstract: Introduction: Parkinson’s disease is affecting millions of people worldwide. The prevalence of Parkinson’s disease is 0.3% globally, rising to 1% in more than 60 years of age and 4% in more than 80 years of age and the figures are thought to be doubled by 2030. Thus, there is a great need to identify novel therapeutic strategies or candidate drug molecule which can rescue neuronal degeneration. β -asarone has the potential to act as a neuroprotective agent but regarding its role in Parkinson’s disease, very few reports are available. Thus, this study was undertaken to unlock the potential of β-asarone against Parkinson’s disease.

Material and Methods: The Absorption, Distribution, Metabolism, and Excretion (ADME) analysis has been done by using Swiss ADME Predictor. The interactions of β-asarone with dopaminergic receptors were investigated by Glide Program 5.0. The crystal structures of dopamine receptors were retrieved from Research Collaboratory for Structural Bioinformatics- Protein Data Bank (RCSB-PDB). The structure of β-asarone was drawn in Chem Draw Ultra 7.0.1. Finally, the toxicity of β-asarone has been predicted by using online web-servers like Lazar and Protox.

Results and Discussion: The ADME data of current investigation has shown good oral bioavailability of β-asarone. It also showed a good binding affinity towards dopaminergic receptors. Further, it was found to be interacting through hydrogen bond with different amino acid residues of D2 and D3 receptors. However, β-asarone was predicted to be toxic in various species of rodents, as per the results of toxicity online web servers.

Conclusion: Based on the current finding from ADME and docking studies, these preliminary results may act as effective precursor tool for the development of β-asarone as a promising anti-Parkinson agent. However, furthermore experimental validation using in-vitro & in-vivo studies is needed to explore their therapeutic andtoxic effects.

Cite this article as:

Gupta Meenakshi, Kant Kamal , Sharma Ruchika and Kumar Anoop *, Evaluation of In Silico Anti-parkinson Potential of β-asarone, Central Nervous System Agents in Medicinal Chemistry 2018; 18 (2) . https://dx.doi.org/10.2174/1871524918666180416153742