Structure-based approaches to improving selectivity through utilizing explicit water molecules: discovery of selective β-secretase (BACE1) inhibitors over BACE2

Fujimoto K, Yoshida S, Tadano G, Asada N, Fuchino K, Suzuki S, Matsuoka E, Yamamoto T, Yamamoto S, Ando S, Kanegawa N, Tonomura Y, Ito H, Moechars D, Rombouts FJR, Gijsen HJM & Kusakabe K-ichi
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Fujimoto, K., Yoshida, S., Tadano, G., Asada, N., Fuchino, K., Suzuki, S., … Kusakabe, Kichi. (2021). Structure-based approaches to improving selectivity through utilizing explicit water molecules: discovery of selective β-secretase (BACE1) inhibitors over BACE2. Journal of Medicinal Chemistry, 64(6), 3075-3085. https://doi.org/10.1021/acs.jmedchem.0c01858