Computational screening for new neuroprotective ingredients against Alzheimer's disease from bilberry by cheminformatics approaches.

ABSTRACT: Bioactive ingredients from natural products have always been an important resource for the discovery of drugs for Alzheimer's disease (AD). Senile plaques, which are formed with amyloid-beta (Aβ) peptides and excess metal ions, are found in AD brains and have been suggested to play an important role in AD pathogenesis. Here, we attempted to design an effective and smart screening method based on cheminformatics approaches to find new ingredients against AD from Vaccinium myrtillus (bilberry) and verified the bioactivity of expected ingredients through experiments. This method integrated advanced artificial intelligence models and target prediction methods to realize the stepwise analysis and filtering of all ingredients. Finally, we obtained the expected new compound malvidin-3-O-ga

SUBMITTER: Xiao R 

PROVIDER: S-EPMC9780678 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature