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Ligand binding conformational flexibility

Bcl-2 is one of the many factors that control apoptosis, and overexpression of Bcl-2 has been observed in many different cancers. A homology model of Bcl-2 was derived from the NMR 3D structure of the Bcl-XL complex with a Bak BH3 peptide. This model served to search the NCI 3D database of 206,876 organic compounds for potential Bcl-2 inhibitors, which bind to the Bak BH3 binding site of Bcl-2. Full conformational flexibility of the ligands was taken into account in the program DOCK. Thirty-five potential inhibitors were tested, and seven of them had IC50 values from 1.6 to W.OpM. One of... [Pg.408]

See other pages where Ligand binding conformational flexibility is mentioned: [Pg.296]    [Pg.197]    [Pg.181]    [Pg.247]    [Pg.338]    [Pg.18]    [Pg.98]    [Pg.52]    [Pg.605]    [Pg.680]    [Pg.168]    [Pg.142]    [Pg.118]    [Pg.472]    [Pg.894]    [Pg.400]    [Pg.24]    [Pg.567]    [Pg.1226]    [Pg.544]    [Pg.213]    [Pg.307]    [Pg.312]    [Pg.12]    [Pg.243]    [Pg.97]    [Pg.299]    [Pg.162]    [Pg.38]    [Pg.211]    [Pg.42]    [Pg.141]    [Pg.170]    [Pg.179]    [Pg.66]    [Pg.339]    [Pg.342]    [Pg.69]    [Pg.212]    [Pg.765]    [Pg.142]    [Pg.427]    [Pg.439]    [Pg.126]    [Pg.168]    [Pg.735]    [Pg.195]    [Pg.307]    [Pg.371]    [Pg.586]   
See also in sourсe #XX -- [ Pg.73 ]



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Binding conformations

Binding flexibility

Conformation flexibility

Conformational flexibility

Flexible binding

Flexible ligands

Ligand flexibility

Ligand flexibility ligands

Ligand, binding conformations

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