From Plant to Pathway: Molecular Mechanisms of Ruscogenin in Preventing Amyloid-Beta Aggregation through Computational and Experimental Approaches DOI
Aastha Tiwari, Ravinder Singh,

Shubham Kumar

и другие.

ACS Chemical Neuroscience, Год журнала: 2025, Номер unknown

Опубликована: Янв. 10, 2025

Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by cognitive decline, extracellular amyloid-β (Aβ) plaque accumulation, and intracellular neurofibrillary tangles. Recent efforts to find effective therapies have increased interest in natural compounds with multifaceted effects on AD pathology. This study explores for their potential mitigate pathology using molecular docking, ADME screening, vitro assays, ruscogenin─a steroidal sapogenin from Ruscus aculeatus─emerging as promising candidate. Ruscogenin, known its antioxidant anti-inflammatory properties, was investigated Aβ aggregation, critical process progression. In assays demonstrated that ruscogenin inhibits oligomerization at equimolar higher molar ratios. Molecular dynamics (MD) simulations further revealed targets aggregation-prone regions, reducing noncovalent interactions the solvent-accessible surface area of aggregates. These were concentration-dependent, concentrations yielding optimal inhibition, pointing multiphasic behavior ruscogenin's modulation aggregation. highlights therapeutic agent AD, capable addressing both oxidative stress inflammation. The findings lay groundwork exploration ruscogenin-based interventions underscore broader treatment strategies.

Язык: Английский

From Plant to Pathway: Molecular Mechanisms of Ruscogenin in Preventing Amyloid-Beta Aggregation through Computational and Experimental Approaches DOI
Aastha Tiwari, Ravinder Singh,

Shubham Kumar

и другие.

ACS Chemical Neuroscience, Год журнала: 2025, Номер unknown

Опубликована: Янв. 10, 2025

Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by cognitive decline, extracellular amyloid-β (Aβ) plaque accumulation, and intracellular neurofibrillary tangles. Recent efforts to find effective therapies have increased interest in natural compounds with multifaceted effects on AD pathology. This study explores for their potential mitigate pathology using molecular docking, ADME screening, vitro assays, ruscogenin─a steroidal sapogenin from Ruscus aculeatus─emerging as promising candidate. Ruscogenin, known its antioxidant anti-inflammatory properties, was investigated Aβ aggregation, critical process progression. In assays demonstrated that ruscogenin inhibits oligomerization at equimolar higher molar ratios. Molecular dynamics (MD) simulations further revealed targets aggregation-prone regions, reducing noncovalent interactions the solvent-accessible surface area of aggregates. These were concentration-dependent, concentrations yielding optimal inhibition, pointing multiphasic behavior ruscogenin's modulation aggregation. highlights therapeutic agent AD, capable addressing both oxidative stress inflammation. The findings lay groundwork exploration ruscogenin-based interventions underscore broader treatment strategies.

Язык: Английский

Процитировано

0