Original Article

The Potentiality of Natural Compounds on Preventing α-synuclein aggregation: In silico-assisted Virtual screening for New Treatment Option in Parkinson’s Disease.

Ahmed Salem Alharbi, Abdulaziz Adel Alshamsi, Musab Saeed Khamisah, Faisal Abdulaziz Alwashmi, Mo-hammed Fahad Alghumaiz, Ahmad Masoud Alharithy, Faisal Abbad Alsubaie.

Author Information

Department of Emergency Medicine, Ministry of National Guard-Health Affairs, Jeddah, Kingdom of Saudi Arabia.

Department of Emergency Medicine, Ministry of National Guard-Health Affairs, Dammam, Kingdom of Saudi Arabia.

Department of Emergency Medicine, Ministry of National Guard-Health Affairs, Riyadh, Kingdom of Saudi Arabia.

Department of Healthcare Technology Management, Ministry of National Guard-Health Affairs, Jeddah, Kingdom of Saudi Arabia.

Department of Anesthesia, King Abdulaziz Medical city, Ministry of National Guard-Health Affairs, Jeddah, Kingdom of Saudi Arabia.

Address for correspondence: Ahmed Salem Alharbi. Department of Emergency Medicine, Ministry of National Guard-Health Affairs, Jeddah, Kingdom of Saudi Arabia.

Email: Ahmed.Alharbi97@hotmail.com

This is an open-access article distributed under the terms of the Creative Commons Attribution-Noncommercial-Share Alike 4.0 Unported, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

American Journal of Molecular Signaling

Abstract

Parkinson's disease (PD) is an unexplained nervous system disorder that manifests in the motor and non-motor systems. It is a long-term, progressive neurodegenerative disease that usually impacts the elderly but can also strike people at an earlier age in life. It is the second most prevalent neurological condition. Dopamine precursor levodopa is the first-line treatment for PD because it effectively reduces neurological symptoms such as bradykinesia, stiffness, and tremor by reversing dopamine deficiency in the nigrostriatal region of the brain. PD has been associated with α-Synuclein, a presynaptic neuronal protein, both genetically and neuropathologically. It is possible that α-Synuclein plays many roles in the development of Parkinson's disease. Repurposing drugs is a quick and affordable way to create novel Parkinson's disease medicines. With this strategy, medications that have already received approval are repurposed for a different indication. Achillea fragrantissima, a desert plant commonly known as yarrow, this plant is frequently use in traditional medicine in Saudi Arabia. In this regard, we employed a computational screening approach encompassing molecular docking, ADMET prediction to find the best active compound in Achillea fragrantissima extract that has the ability to affect α-synuclein aggregation for preventing PD.

Keywords: Computational modelling; α-synuclein; Achillea fragrantissima; Parkinson's disease.