Strategic approaches to drug design. II. Modelling studies on phosphodiesterase substrates and inhibitors

J Comput Aided Mol Des. 1987 Jul;1(2):97-119. doi: 10.1007/BF01676955.


Modelling studies have been carried out on the phosphodiesterase (PDE) substrates, adenosine- and guanosine-3'5'-cyclic monophosphates, and on a number of non-specific and type III-specific phosphodiesterase inhibitors. These studies have assisted the understanding of PDE substrate differentiation and the design of potent, selective PDE type III inhibitors.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Graphics
  • Computer Simulation
  • Cyclic AMP
  • Cyclic GMP
  • Drug Design*
  • Molecular Conformation
  • Phosphodiesterase Inhibitors*
  • Phosphoric Diester Hydrolases / metabolism*
  • Structure-Activity Relationship
  • Substrate Specificity
  • Thermodynamics


  • Phosphodiesterase Inhibitors
  • Cyclic AMP
  • Phosphoric Diester Hydrolases
  • Cyclic GMP