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

[ Vol. 18 , Issue. 2 ]

Author(s):

Meenakshi Gupta, Kamal Kant, Ruchika Sharma and Anoop Kumar*   Pages 128 - 135 ( 8 )

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.

Keywords:

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

Affiliation:

Department of Pharmacology, Indo-Soviet Friendship College of Pharmacy (ISFCP), Moga, Punjab, Department of Pharmaceutical Sciences and Technology, Birla Institute of Technology, Mesra, Ranchi -835215, Jharkhand, Department of Biotechnology, Indo-Soviet Friendship College of Professional Studies (ISFCPS), Moga, Punjab, Department of Pharmacology, Indo-Soviet Friendship College of Pharmacy (ISFCP), Moga, Punjab

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