Discovery of small-molecule activators for glucose-6-phosphate dehydrogenase (G6PD) using machine learning approaches

Keyphrases

• Small Molecule Activation 100%
• Machine Learning Approach 100%
• Glucose-6-phosphate Dehydrogenase (G6PD) 100%
• In Silico 28%
• Drug-likeness 28%
• Hit Molecules 28%
• Absorption Distribution Metabolism Excretion 28%
• Adenosine 14%
• Distributional Analysis 14%
• Nicotine 14%
• Machine Learning Techniques 14%
• Validation Studies 14%
• Pharmacophore-based 14%
• Glutathione 14%
• Barrier Function 14%
• Phosphate 14%
• Virtual Screening 14%
• Oxidative Damage 14%
• Photoreceptor 14%
• Cellular Level 14%
• Optimal Performance 14%
• Principal Coordinate Analysis (PCoA) 14%
• Dinucleotide 14%
• Pharmacophore Modeling 14%
• Molecular Descriptors 14%
• Binding Energy 14%
• Stress Conditions 14%
• Pharmacophore 14%
• Pentose Phosphate Pathway 14%
• Clinic Setting 14%
• Non-drug 14%
• Retinal Cells 14%
• Traditional Structures 14%
• Cell Barrier 14%
• Deficiency Diseases 14%
• Molecular Docking 14%
• Cheminformatics 14%
• Pharmacophore Features 14%
• Structure-based Virtual Screening 14%
• Toxicity Analysis 14%
• Blood Barrier 14%
• Safe Agent 14%
• Metabolomic Analysis 14%
• Statistical Machine Learning Methods 14%
• Modeling Learning 14%
• Glucose-6-phosphate 14%
• Cytosolic Enzymes 14%
• Absorption Analysis 14%
• 6-phosphogluconate 14%
• Lead Molecule 14%

Medicine and Dentistry

• Glucose 6 Phosphate Dehydrogenase 100%
• Pharmacophore 80%
• Virtual Screening 40%
• In Silico 40%
• Glucose-6-Phosphate Dehydrogenase Deficiency 40%
• Absorption Distribution Metabolism Excretion 40%
• Adenosine 20%
• Dinucleotide 20%
• Photoreceptor 20%
• Dipeptidyl Carboxypeptidase 20%
• Principal Component Analysis 20%
• Glutathione 20%
• Pentose Phosphate Cycle 20%
• Nutritional Deficiency 20%
• Binding Energy 20%
• Molecular Descriptor 20%
• Glucose 6 Phosphate 20%
• Hexose Monophosphate Shunt 20%
• Docking (Molecular) 20%
• Nicotine 20%

Pharmacology, Toxicology and Pharmaceutical Science

• Glucose 6 Phosphate Dehydrogenase 100%
• Virtual Screening 40%
• Glucose 6 Phosphate Dehydrogenase Deficiency 40%
• Absorption Distribution Metabolism Excretion 40%
• Dipeptidyl Carboxypeptidase 20%
• Dinucleotide 20%
• Glutathione 20%
• Nutritional Deficiency 20%
• Pentose Phosphate 20%
• Glucose 6 Phosphate 20%
• Adenosine 20%
• Pharmacophore Modeling 20%
• Nicotine 20%