Quantitative structure-activity relationship (QSAR) study of polyhydroxyxanthones.
In the present study 13C-chemical shift additivity rules are developed for polyhydroxyxanthones with antituberculotic activity against Mycobacterium tuberculosis. QSAR investigations are performed by correlating 13C-chemical shifts and calculated dipole moments of several 1,3-substituted polyhydroxyxanthones with their antituberculotic activity and by using the CoMFA approach as a three-dimensional QSAR method.
Ungwitayatorn
J
J
Pharmaceutical Institute, University of Freiburg, Germany.
Pickert
M
M
Frahm
A W
AW
D000995:Antitubercular Agents / Q000737:chemistry* / Q000494:pharmacology*; D002247:Carbon Isotopes; D009682:Magnetic Resonance Spectroscopy; D013329:Structure-Activity Relationship; D014966:Xanthenes / Q000737:chemistry* / Q000494:pharmacology*
D000995:Antitubercular Agents; D002247:Carbon Isotopes; D014966:Xanthenes