Ignacio De Ema

Integrated Virtual Screening and Molecular Electrostatic Surface Potential Descriptors for Predicting BACE1 Inhibitor Interactions in Alzheimer’s Disease

Combining QSAR, ADMET, and molecular docking with an early emphasis on BBB penetration offers a time-efficient strategy for CNS drug discovery against Alzheimer’s disease, and rapidly prioritizes candidates with high potency and favorable Central Nervous System (CNS) drug-like properties, thereby reducing the risk of l...