QSAR of aromatic substances: MAO inhibitory activity of xanthone derivatives.
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 pi orbitals explain a further large portion of the variance in their inhibitory activity.
Deeb
Omar
O
Chemistry and Chemical Technology Department, Al-Quds University, PO Box 20002 Jerusalem, Palestine.
Alfalah
Sherin
S
Clare
Brian W
BW
D000818:Animals; D004353:Drug Evaluation, Preclinical; D006801:Humans; D008956:Models, Chemical; D008996:Monoamine Oxidase Inhibitors / Q000737:chemistry* / Q000494:pharmacology*; D021281:Quantitative Structure-Activity Relationship; D012984:Software; D013816:Thermodynamics; D044004:Xanthones / Q000737:chemistry* / Q000494:pharmacology*
D008996:Monoamine Oxidase Inhibitors; D044004:Xanthones