PreprintCommunicationVersion 1Preserved in Portico This version is not peer-reviewed
Exploring Natural Compounds as Potential MAO-B Inhibitors for Parkinson's Disease Treatment: Insights from Docking Simulations and Toxicity Predictions
Version 1
: Received: 4 February 2024 / Approved: 5 February 2024 / Online: 5 February 2024 (10:35:40 CET)
How to cite:
Ferrari, I.V. Exploring Natural Compounds as Potential MAO-B Inhibitors for Parkinson's Disease Treatment: Insights from Docking Simulations and Toxicity Predictions. Preprints2024, 2024020258. https://doi.org/10.20944/preprints202402.0258.v1
Ferrari, I.V. Exploring Natural Compounds as Potential MAO-B Inhibitors for Parkinson's Disease Treatment: Insights from Docking Simulations and Toxicity Predictions. Preprints 2024, 2024020258. https://doi.org/10.20944/preprints202402.0258.v1
Ferrari, I.V. Exploring Natural Compounds as Potential MAO-B Inhibitors for Parkinson's Disease Treatment: Insights from Docking Simulations and Toxicity Predictions. Preprints2024, 2024020258. https://doi.org/10.20944/preprints202402.0258.v1
APA Style
Ferrari, I.V. (2024). Exploring Natural Compounds as Potential MAO-B Inhibitors for Parkinson's Disease Treatment: Insights from Docking Simulations and Toxicity Predictions. Preprints. https://doi.org/10.20944/preprints202402.0258.v1
Chicago/Turabian Style
Ferrari, I.V. 2024 "Exploring Natural Compounds as Potential MAO-B Inhibitors for Parkinson's Disease Treatment: Insights from Docking Simulations and Toxicity Predictions" Preprints. https://doi.org/10.20944/preprints202402.0258.v1
Abstract
This study explores the potential of natural compounds, including Daidzin, Luteolin, and Silibinin, as inhibitors of human monoamine oxidase B (MAO-B) for the treatment of Parkinson's disease. Docking simulations were performed using Autodock Vina with Pyrx program to evaluate the binding affinities of these compounds with MAO-B. Results indicate that Daidzin, Luteolin, and Silibinin exhibit promising binding affinities with MAO-B, with Daidzin demonstrating the highest affinity. Toxicity parameters were further predicted using the PkCSM Server, confirming the low toxicity of these compounds. Overall, the findings suggest that Daidzin, Luteolin, and Silibinin have the potential to be effective and safe treatments for Parkinson's disease through their inhibition of MAO-B. Further experimental validation is warranted to support their therapeutic efficacy in clinical settings.
Keywords
human monoamine oxidase B (MAO-B); PkCSM Server; Daidzin; Parkinson's disease; Docking program
Subject
Medicine and Pharmacology, Other
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
