Exploring the binding site of C-terminal hsp90 inhibitors.
The 90 kDa heat shock protein (Hsp90) is a prominent target for anticancer drug discovery. While its N-terminal domain has been widely exploited, several lines of evidence are emerging in favor of targeting its C-terminal domain to conceive innovative drugs based on perturbation of the dimer interface. Here, we describe the application of several computational approaches useful to predict the location of the C-terminal binding site.
Sgobba
Miriam
M
Forestiero
Rosetta
R
Degliesposti
Gianluca
G
Rastelli
Giulio
G
D001665:Binding Sites; D018360:Crystallography, X-Ray; D018841:HSP90 Heat-Shock Proteins / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism; D008958:Models, Molecular; D011487:Protein Conformation
D018841:HSP90 Heat-Shock Proteins