Identifying Possible AChE Inhibitors from Drug-like Molecules via Machine Learning and Experimental Studies
Trung Hai Nguyen, Phuong‐Thao Tran, Ngoc Quynh Anh Pham, Van-Hai Hoang, Đinh Minh Hiệp, Sơn Tùng Ngô · ACS Omega · 2022
of two compounds is significantly lower than that of galantamine (2.10 μM). The predicted log(BB) suggests that the compounds may be able to traverse the blood-brain barrier. A good agreement between computational and experimental studies was observed, indicating that the hybrid approach can enhance AD therapy.