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Drag pharmacophore

Wolber G, Seidel T, Bendix F, Langer T. Molecule-pharmacophore superpositioning and pattern matching in computational drag design. Drag Discov. Today 2008 13 23-29. [Pg.279]

Phannacopbore The ensemble of sicric. electronic, and lipophilic factors needed to ensure interaction of a drag molecule with a given receptor. Pharmacophores are most useful in searching a three-dimensional (3D) structure dalaba.se and in filtering structures for virtual screening. [Pg.62]

Figure 11.3 P-glycoprotein pharmacophore model derived from propafenones used for screening of the world drag index. Blue hydrophobic/aromatic green hydrophobic brown H-bond acceptor red positive ionisable. [Pg.818]

Keywords Docking Conformation Stracture-based drag design Pharmacophore... [Pg.195]

GrifiBth R, Luu TTT, Gamer J, Keller PA (2005) Combining stracture-based drag design and pharmacophores. J Mol Graph Model 23 439-446. [Pg.268]

Mason JS, Good AC, Martin EJ (2001) 3-D pharmacophores in drag discovery. Curr Pharm Des 7 567 597... [Pg.78]

An important concept for the development of new drags is based on the idea that the combination of different pharmacophores can contribute to a combined pharmacological action. An example is illustrated in Figure 18.43. [Pg.377]


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See also in sourсe #XX -- [ Pg.215 ]




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