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Lead generation virtual screening

NMR 3D structure of the undecapeptide U-II generated a ligand pharmacophore hypothesis that served as query for the virtual screening of the Aventis in-house compound repository. Active leads from six different chemical classes could be identihed by the 3D search, for example, compound 17 (ECso = 400nM Fig. 16.2) [91]. [Pg.388]

The combination of alternative screening approaches, virtual screening, parallel medicinal chemistry in combination with an early profiling on the multitude of relevant compound properties will hopefully generate an improved basis for proper decisions about which promising lead series to take forward. [Pg.338]

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See also in sourсe #XX -- [ Pg.74 ]



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