Kha. Czaplinski et Gl. Grunewald, A COMPARATIVE MOLECULAR-FIELD ANALYSIS DERIVED MODEL OF THE BINDING OF TAXOL(R) ANALOGS TO MICROTUBULES, Bioorganic & medicinal chemistry letters, 4(18), 1994, pp. 2211-2216
We investigated a series of Taxol(R) (1, paclitaxel) analogues using a
3-D QSAR approach (CoMFA). Published and unpublished data for more th
an 50 compounds have been included in the analysis and the model has b
een used to predict the activity of other analogues. The model accurat
ely describes known SARs and also has good predictive power.