Discovery of MAO-B Inhibitor with Machine Learning, Topomer CoMFA, Molecular Docking and Multi-Spectroscopy Approaches

Discovery of MAO-B Inhibitor with Machine Learning, Topomer CoMFA, Molecular Docking and Multi-Spectroscopy Approaches

Alzheimer’s disease (AD) is the most common type of dementia and is a serious disruption to normal life. Monoamine oxidase-B (MAO-B) is an important target for the treatment of AD. In this study, machine learning approaches were applied to investigate the identification model of MAO-B inhibitors. Th...

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Bibliographic Details
Main Authors: Linfeng Zheng, Xiangyang Qin, Jiao Wang, Mengying Zhang, Quanlin An, Jinzhi Xu, Xiaosheng Qu, Xin Cao, Bing Niu
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:Biomolecules
Subjects:
Alzheimer’s disease (AD)
monoamine oxidase B (MAO-B) inhibitors
machine learning
molecular docking
fluorescence quenching
Online Access:https://www.mdpi.com/2218-273X/12/10/1470

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