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Comprehensive Investigation of Natural Ligands as Inhibitors of ß Secretase to Identify Alzheimer's Disease Therapeutics.
Kushwah, Shikha; Mani, Ashutosh.
Afiliação
  • Kushwah S; Department of Biotechnology, Motilal Nehru National Institute of Technology Allahabad, 211004, India.
  • Mani A; Department of Biotechnology, Motilal Nehru National Institute of Technology Allahabad, 211004, India.
Curr Alzheimer Res ; 2024 Jul 15.
Article em En | MEDLINE | ID: mdl-39021181
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 Aß (amyloid beta) plaque aggregation, is a well-acknowledged theory. The ß-secretase (BACE1) is the main cause of Aß 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 ß-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.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2024 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2024 Tipo de documento: Article