Repurposing Drugs for Inhibition against ALDH2 via a 2D/3D Ligand-Based Similarity Search and Molecular Simulation

Repurposing Drugs for Inhibition against ALDH2 via a 2D/3D Ligand-Based Similarity Search and Molecular Simulation

Aldehyde dehydrogenase-2 (ALDH2) is a crucial enzyme participating in intracellular aldehyde metabolism and is acknowledged as a potential therapeutic target for the treatment of alcohol use disorder and other addictive behaviors. Using previously reported ALDH2 inhibitors of Daidzin, CVT-10216, and...

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Bibliographic Details
Main Authors: Wanyun Jiang, Junzhao Chen, Puyu Zhang, Nannan Zheng, Le Ma, Yongguang Zhang, Haiyang Zhang
Format: Article
Language:English
Published: MDPI AG 2023-10-01
Series:Molecules
Subjects:
drug repurposing
ligand-based virtual screening
substance use disorder
receptor–ligand interactions
Online Access:https://www.mdpi.com/1420-3049/28/21/7325

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