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- W1966686539 abstract "Microtubules are the main constituents of mitotic spindles. They are nucleated in large amounts during spindle assembly, from multiprotein complexes containing γ-tubulin and associated γ-tubulin complex proteins (GCPs). With the aim of developing anti-cancer drugs targeting these nucleating complexes, we analyzed the interface between GCP4 and γ-tubulin proteins usually located in a multiprotein complex named γ-TuRC (γ-Tubulin Ring Complex). 10 ns molecular dynamics simulations were performed on the heterodimers to obtain a stable complex in silico and to analyze the residues involved in persistent protein-protein contacts, responsible for the stability of the complex. We demonstrated in silico the existence of a binding pocket at the interface between the two proteins upon complex formation. By combining virtual screening using a fragment-based approach and biophysical screening, we found several small molecules that bind specifically to this pocket. Sub-millimolar fragments have been experimentally characterized on recombinant proteins using differential scanning fluorimetry (DSF) for validation of these compounds as inhibitors. These results open a new avenue for drug development against microtubule-nucleating γ-tubulin complexes." @default.
- W1966686539 created "2016-06-24" @default.
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- W1966686539 date "2013-05-15" @default.
- W1966686539 modified "2023-10-18" @default.
- W1966686539 title "Virtual and Biophysical Screening Targeting the γ-Tubulin Complex – A New Target for the Inhibition of Microtubule Nucleation" @default.
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- W1966686539 doi "https://doi.org/10.1371/journal.pone.0063908" @default.
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