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Fragment-based de novo design

In a recent study on the scaffold-hopping potential of fragment-based de novo design, among ACE inhibitors known lead structures 397b and... [Pg.163]

Fechner, U., and Schneider, G. (2006). Flux (1) a virtual synthesis scheme for fragment-based de novo design. Journal of Chemical Information and Modeling 46, 699-707. [Pg.36]

Fragment-based De Novo Design of Drug-like Molecules... [Pg.217]

Using the TAR RNA ligand acetylpromazine as a template structure, FLUX suggested compound 7.8 as a result of automated fragment-based de novo design. Compound 7.9 was derived from this precursor, synthesized and successfully tested in a binding assay. The distribution of pharmacophoric points is very similar in 7.7 and 7.9. [Pg.233]

See other pages where Fragment-based de novo design is mentioned: [Pg.245]    [Pg.67]    [Pg.162]    [Pg.217]    [Pg.218]    [Pg.233]    [Pg.234]    [Pg.234]    [Pg.236]    [Pg.274]    [Pg.284]    [Pg.4017]    [Pg.132]    [Pg.15]    [Pg.358]    [Pg.224]    [Pg.241]    [Pg.661]   
See also in sourсe #XX -- [ Pg.132 ]



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Base fragments

De design

De novo

De novo design

Design Bases

Fragment-based

Fragment-based de novo ligand design

Novo

Novo Design

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