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

J Biomol Struct Dyn. 2018 Aug;36(10):2628-2636. doi: 10.1080/07391102.2017.1365013. Epub 2017 Sep 11.
No abstract available

Publication types

  • Letter

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

Substances

  • Enzyme Inhibitors
  • Ligands
  • Nucleotides
  • Phosphoric Monoester Hydrolases
  • 8-oxodGTPase
  • DNA Repair Enzymes