Discovery of New Selective Butyrylcholinesterase (BChE) Inhibitors with Anti-Aβ Aggregation Activity: Structure-Based Virtual Screening, Hit Optimization and Biological Evaluation

Discovery of New Selective Butyrylcholinesterase (BChE) Inhibitors with Anti-Aβ Aggregation Activity: Structure-Based Virtual Screening, Hit Optimization and Biological Evaluation

In this study, a series of selective butyrylcholinesterase (BChE) inhibitors was designed and synthesized from the structural optimization of hit <b>1</b>, a 4-((3,4-dihydroisoquinolin-2(1<i>H</i>)-yl)methyl)benzoic acid derivative identified by virtual screening our compound...

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Bibliographic Details
Main Authors: Cheng-Shi Jiang, Yong-Xi Ge, Zhi-Qiang Cheng, Yin-Yin Wang, Hong-Rui Tao, Kongkai Zhu, Hua Zhang
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Molecules
Subjects:
selective BChE inhibitor
virtual screening
structural optimization
molecular dynamics
anti-Aβ aggregation
Online Access:https://www.mdpi.com/1420-3049/24/14/2568

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https://www.mdpi.com/1420-3049/24/14/2568

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