In Silico Investigation of Suillin Derived from Suillus luteus Mushroom (Agaricomycetes) Targeting Acetylcholinesterase: Docking and Virtual Screening Study.
Int J Med Mushrooms
; 26(11): 75-80, 2024.
Article
em En
| MEDLINE
| ID: mdl-39241165
ABSTRACT
This study integrates bioinformatics and computer-aided drug discovery to assess suillin's therapeutic potential, particularly its interaction with acetylcholinesterase (AChE). Alzheimer's disease presents profound challenges, necessitating effective treatments to mitigate cognitive decline and improve patients' quality of life. Although current medications offer symptomatic relief, they often entail adverse effects and do not address the underlying disease progression. Natural sources, such as macrofungi mushrooms, hold promise for novel drug discovery due to their bioactive compounds' diverse therapeutic properties. Suillin, derived from Suillus luteus mushrooms, shows promise as a mixed-type AChE inhibitor, crucial for maintaining acetylcholine levels in neurodegenerative disorders like Alzheimer's disease. Computational docking studies reveal suillin's distinctive interactions with AChE, suggesting potential modulation of enzyme function through various bonding mechanisms. The Molinspiration drug-likeness score further supports suillin's efficacy, indicating its suitability for enzyme inhibition. By combining computational and bioinformatics approaches, this study elucidates suillin's molecular interactions and underscores its potential as a therapeutic agent.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Acetilcolinesterase
/
Inibidores da Colinesterase
/
Simulação de Acoplamento Molecular
Limite:
Humans
Idioma:
En
Revista:
Int J Med Mushrooms
Ano de publicação:
2024
Tipo de documento:
Article
País de afiliação:
Índia
País de publicação:
Estados Unidos