QSAR of aromatic substances: MAO inhibitory activity of xanthone derivatives

Abstract

The flip regression procedure that we used earlier for handling the dibenzofuran system has been applied to xanthones. The MAO-A inhibitory activity expressed as IC₅₀ of the xanthones is known to correlate with E-state, molecular connectivity, shape indices and in this contribution it is shown that the orientation of nodes in their occupied π orbitals explain a further large portion of the variance in their inhibitory activity.

Keywords::

• Aromatic
• QSAR
• flip-regression
• orbital nodes
• xanthones