Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer’s Disease

Development of Activity Rules and Chemical Fragment Design for In Silico Discovery of AChE and BACE1 Dual Inhibitors against Alzheimer’s Disease

Multi-target drug development has become an attractive strategy in the discovery of drugs to treat of Alzheimer’s disease (AzD). In this study, for the first time, a rule-based machine learning (ML) approach with classification trees (CT) was applied for the rational design of novel dual-target acet...

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Bibliographic Details
Main Authors: Le-Quang Bao, Daniel Baecker, Do Thi Mai Dung, Nguyen Phuong Nhung, Nguyen Thi Thuan, Phuong Linh Nguyen, Phan Thi Phuong Dung, Tran Thi Lan Huong, Bakhtiyor Rasulev, Gerardo M. Casanola-Martin, Nguyen-Hai Nam, Hai Pham-The
Format: Article
Language:English
Published: MDPI AG 2023-04-01
Series:Molecules
Subjects:
Alzheimer’s disease
QSAR
AChE
BACE1
dual-target inhibitor
fragment design
Online Access:https://www.mdpi.com/1420-3049/28/8/3588

Internet

https://www.mdpi.com/1420-3049/28/8/3588

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