Hypericin As A Possible Natural Molecule For The Treatment Of Alzheimer`s Disease: Computationa Studies Focused On Beta-Secretase-1(or BACE1)

Ivan Vito Ferrari¹

Section:Research Paper, Product Type: Journal-Paper
Vol.10 , Issue.5 , pp.68-70, Oct-2023

Online published on Oct 31, 2023

Copyright © Ivan Vito Ferrari . 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.
 

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Abstract :
In this short communication, for the first time computational approach through Molecular Docking by Autodock Vina was performed for the treatment of Alzheimer’s disease. In this investigation, hundreds of natural molecules were investigated by the Virtual Screening method with the Pyrx program using the Beta-Secretase-1 protein in the Ligand Binding Site protein. From docking results, Hypericin has obtained an excellent binding energy value of -10.6 kcal/mol rather than other compounds investigated. Several biological studies are needed both to demonstrate the role of Hypericin in its mechanism and toxicity studies to evaluate whether this molecule can actually be useful for the treatment of Alzheimer`s disease.

Key-Words / Index Term :
Autodock Vina, Hypericin, Docking method

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