Artificial Intelligence-Based Application to Explore Inhibitors of Neurodegenerative Diseases.

ABSTRACT: Neuroinflammation is a common factor in neurodegenerative diseases, and it has been demonstrated that galectin-3 activates microglia and astrocytes, leading to inflammation. This means that inhibition of galectin-3 may become a new strategy for the treatment of neurodegenerative diseases. Based on this motivation, the objective of this study is to explore an integrated new approach for finding lead compounds that inhibit galectin-3, by combining universal artificial intelligence algorithms with traditional drug screening methods. Based on molecular docking method, potential compounds with high binding affinity were screened out from Chinese medicine database. Manifold artificial intelligence algorithms were performed to validate the docking results and further screen compounds. Among all i

SUBMITTER: Deng L 

PROVIDER: S-EPMC7783404 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature