Identification of a pharmacophore for nucleoside analog inhibitors directed at HIV-1 reverse transcriptase

J Mol Recognit. 1994 Sep;7(3):211-4. doi: 10.1002/jmr.300070309.


An 'active analog' approach to receptor mapping was used to identify a pharmacophore for a set of thymidine nucleoside analog inhibitors of HIV-1 reverse transcriptase. The preliminary results indicate that the O2, O4', and O5' atoms are capable of adopting a unique pharmacophoric pattern which may be the key to their recognition by reverse transcriptase.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Binding Sites
  • Computer Graphics
  • HIV Reverse Transcriptase
  • HIV-1 / drug effects*
  • HIV-1 / enzymology
  • Models, Molecular
  • Nucleosides / chemistry
  • Nucleosides / pharmacology*
  • Reverse Transcriptase Inhibitors*
  • Structure-Activity Relationship
  • Thymidine


  • Nucleosides
  • Reverse Transcriptase Inhibitors
  • HIV Reverse Transcriptase
  • Thymidine