1.
Bioorg Med Chem
; 17(2): 553-7, 2009 Jan 15.
Article
in English
| MEDLINE
| ID: mdl-19097911
ABSTRACT
A three-dimensional pharmacophore model of CA IX inhibitors was generated and used to screen the ZINC database of commercially available compounds. The hits were docked in a CA IX homology model. By visualizing the binding mode and score of these compounds, six derivatives were selected and evaluated for their inhibitory potency against CA IX. A highly active CA IX inhibitor was identified which may be used as a lead to design novel such derivatives.