In silico prediction of new inhibitors for the nucleotide pool sanitizing enzyme, MTH1, using drug repurposing

MeSH terms

• Computer Simulation*
• DNA Repair Enzymes / antagonists & inhibitors*
• DNA Repair Enzymes / chemistry
• Drug Repositioning*
• Enzyme Inhibitors / chemistry
• Enzyme Inhibitors / pharmacology*
• Hydrogen Bonding
• Ligands
• Models, Molecular
• Molecular Docking Simulation
• Molecular Dynamics Simulation
• Nucleotides / metabolism*
• Phosphoric Monoester Hydrolases / antagonists & inhibitors*
• Phosphoric Monoester Hydrolases / chemistry
• Protein Conformation
• Thermodynamics