Identification of Neprilysin as a Potential Target of Arteannuin Using Computational Drug Repositioning

In the 2017 study, computational drug repositioning techniques were used to identify neprilysin as a potential target for arteannuin, an anti-malarial agent with possible efficacy in other diseases. The study employed reverse docking servers PharmMapper, DRAR-CPI, and DDI-CPI, as well as molecular docking with AutoDock Vina, to predict and verify the interaction between arteannuin and neprilysin. Neprilysin, known as an acute lymphoblastic leukemia antigen and involved in amyloid beta peptide catabolism, was identified as the top disease-related target. The binding of arteannuin to neprilysin was confirmed through molecular docking, which showed a hydrogen bond with residue His711. These findings suggest new clinical applications for arteannuin, particularly in cancer and Alzheimer's disease, although experimental validation is required. The research indicates a potential pharmacological function of arteannuin related to its interaction with neprilysin and lays the groundwork for future studies.