Structural insight into selective phosphodiesterase 4B inhibitors: pharmacophore-based virtual screening, docking, and molecular dynamics simulations

J Biomol Struct Dyn. 2017 May;35(6):1339-1349. doi: 10.1080/07391102.2016.1183520. Epub 2016 Aug 5.
No abstract available

Publication types

  • Letter
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cyclic Nucleotide Phosphodiesterases, Type 4 / chemistry*
  • Molecular Docking Simulation
  • Molecular Dynamics Simulation
  • Phosphodiesterase Inhibitors / chemistry*
  • Protein Binding
  • Protein Conformation*
  • User-Computer Interface

Substances

  • Phosphodiesterase Inhibitors
  • Cyclic Nucleotide Phosphodiesterases, Type 4