A QSAR study for the cytotoxic activities of taxoids against macrophage (MPhi)-like cells.
A series of taxoids (modified at the C-3'N position) have been used for the development of two QSAR models for their cytotoxic activities against macrophage (MPhi)-like cells J774.1 and J7.DEF3. QSAR results suggest that hydrophobic and steric features influence the inhibitory activity in a linear model. The ClogP values were not great enough to establish the upper limit of the inhibition. Internal [cross-validation, quality factor (Q), Fischer statistics (F), Y-randomization, and lack of overfitting tests] and external validation tests have validated both the QSAR models.
Hansch
Corwin
C
Department of Chemistry, Pomona College, 645 North College Avenue, Claremont, CA 91711, USA.
Verma
Rajeshwar P
RP
D000818:Animals; D002478:Cells, Cultured; D006801:Humans; D008264:Macrophages / Q000187:drug effects*; D021281:Quantitative Structure-Activity Relationship; D013329:Structure-Activity Relationship; D043823:Taxoids / Q000737:chemistry / Q000494:pharmacology*
D043823:Taxoids