Anti-Alzheimer Potential of a New (+)-Pinitol Glycoside Isolated from Tamarindus indica Pulp: In Vivo and In Silico Evaluations.
Esraa M MohamedAbeer H ElmaidomyRania AlaaeldinFaisal AlSenaniFaisal H AltemaniNaseh A AlgehainyMohammad A AlanaziAlaa BagalagelAbdulhamid AlthagafiMahmoud A ElrehanyUsama Ramadan AbdelmohsenPublished in: Metabolites (2023)
Tamarindus indica Linn (tamarind, F. Leguminosae) is one of the most widely consumed edible fruits in the world. Phytochemical investigation of tamarind pulp n -butanol fraction yielded one new (+)-pinitol glycoside compound 1 (25% w / w ), and 1D, 2D NMR, and HRESIMS investigation were used to confirm the new compound's structure. (+)-Pinitol glycoside showed anti-Alzheimer potential that was confirmed in prophylactic and treatment groups by decreasing time for the T-maze test; decreased TAO, brain and serum AChE, MDA, tau protein levels, and β amyloid peptide protein levels; and increasing GPX, SOD levels, and in vivo regression of the neurodegenerative features of Alzheimer's dementia in an aluminum-intoxicated rat model. The reported molecular targets for human Alzheimer's disease were then used in a network pharmacology investigation to examine their complex interactions and identify the key targets in the disease pathogenesis. An in silico-based analysis (molecular docking, binding free energy calculation (Δ G Binding ), and molecular dynamics simulation) was performed to identify the potential targets for compound 1 . The findings of this study may lead to the development of dietary supplements for the treatment of Alzheimer's disease.
Keyphrases
- molecular docking
- molecular dynamics simulations
- cognitive decline
- mild cognitive impairment
- binding protein
- magnetic resonance
- endothelial cells
- protein protein
- cell proliferation
- human health
- high resolution
- brain injury
- cell death
- white matter
- functional connectivity
- risk assessment
- resting state
- amino acid
- cell cycle arrest
- single molecule
- induced pluripotent stem cells
- mass spectrometry
- subarachnoid hemorrhage