Discovery of Small-Molecule Activators for Glucose-6-Phosphate Dehydrogenase (G6PD) Using Machine Learning Approaches

Discovery of Small-Molecule Activators for Glucose-6-Phosphate Dehydrogenase (G6PD) Using Machine Learning Approaches

Glucose-6-Phosphate Dehydrogenase (G6PD) is a ubiquitous cytoplasmic enzyme converting glucose-6-phosphate into 6-phosphogluconate in the pentose phosphate pathway (PPP). The G6PD deficiency renders the inability to regenerate glutathione due to lack of Nicotine Adenosine Dinucleotide Phosphate (NAD...

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Bibliographic Details
Main Authors: Madhu Sudhana Saddala, Anton Lennikov, Hu Huang
Format: Article
Language:English
Published: MDPI AG 2020-02-01
Series:International Journal of Molecular Sciences
Subjects:
g6pd
pharmacophore modeling
machine learning
docking
admet
Online Access:https://www.mdpi.com/1422-0067/21/4/1523

Internet

https://www.mdpi.com/1422-0067/21/4/1523

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