QSAR modeling on dopamine D2 receptor binding affinity of 6-methoxy benzamides

Farmaco. 2005 Oct;60(10):818-25. doi: 10.1016/j.farmac.2005.06.018. Epub 2005 Aug 1.

Abstract

QSAR modeling was performed on 58 (S) N-[(1-ethyl-2-pyrrolidinyl) methyl]-6-methoxy benzamides as dopamine (DA) D2 receptor antagonists to identify the structural requirements for DA D2 receptor binding affinity. The study pointed out that the presence of hydrophobic substituents at R3 position and electron-donating groups at R5 position increased the biological activity. Substitutions at phenyl ring favored the binding affinity of these benzamides. Ethyl group and iodine at R3 position were advantageous to the activity whereas nitro group at phenyl ring hindered the antagonistic activity.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Benzamides / chemistry
  • Benzamides / pharmacology*
  • Dopamine D2 Receptor Antagonists*
  • Linear Models
  • Models, Biological
  • Models, Chemical
  • Molecular Structure
  • Protein Binding
  • Quantitative Structure-Activity Relationship

Substances

  • Benzamides
  • Dopamine D2 Receptor Antagonists