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Volume 21, Issue 9
  • ISSN: 1567-2050
  • E-ISSN: 1875-5828

Abstract

Introduction

Alzheimer's disease (AD) is an alarmingly prevalent worldwide neurological disorder that affects millions of people and has severe effects on cognitive functions. The amyloid hypothesis, which links AD to Aβ (amyloid beta) plaque aggregation, is a well-acknowledged theory. The β-secretase (BACE1) is the main cause of Aβ production, which makes it a possible target for therapy. FDA-approved therapies for AD do exist, but none of them explicitly target BACE1, and their effectiveness is constrained and accompanied by adverse effects.

Materials and Methods

We determined the essential chemical components of medicinal herbs by conducting a thorough literature research for BACE1. Computational methods like molecular docking, ADMET (Absorption, distribution, metabolism, excretion, toxicity) screening, molecular dynamic simulations, and MMPBSA analysis were performed in order to identify the most promising ligands for β-secretase.

Results

The results suggested that withasomniferol, tinosporide, and curcumin had better binding affinity with BACE1, suggesting their potential as therapeutic candidates against Alzheimer’s disease.

Conclusion

Herbal therapeutics have immense applications in the treatment of chronic diseases like Alzheimer’s disease, and there is an urgent need to assess their efficacy as therapeutics.

© 2024 Bentham Science Publishers
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2024-07-15
2025-06-17

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/content/journals/car/10.2174/0115672050323622240705043337
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Comprehensive Investigation of Natural Ligands as Inhibitors of β Secretase to Identify Alzheimer’s Disease Therapeutics
Curr Alzheimer Res 21, 667 (2024); https://doi.org/10.2174/0115672050323622240705043337
/content/journals/car/10.2174/0115672050323622240705043337
/content/journals/car/10.2174/0115672050323622240705043337
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  • Article Type:     Research Article
Keyword(s): Alzheimer’s disease; amyloid-beta hypothesis; BACE1; herbal compounds; MD (molecular dynamics) simulation; molecular docking

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