Discovery of a Selective 6-Hydroxy-1, 4-Diazepan-2-one Containing Butyrylcholinesterase Inhibitor by Virtual Screening and MM-GBSA Rescoring

• Main Authors: You Zhou (Author), Yanyu Hu (Author), Xin Lu (Author), Hongyu Yang (Author), Qihang Li (Author), Chenxi Du (Author), Yao Chen (Author), Kwon Ho Hong (Author), Haopeng Sun (Author)
• Format: Book
• Published: SAGE Publishing, 2020-06-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Alzheimer disease (AD) is the most common form of dementia characterized by the loss of cognitive abilities through the death of central neuronal cells. In this study, structure-based virtual screens of 2 central nervous system-targeted libraries followed by molecular mechanics/generalized born surf...