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Fuzzy pharmacophores

Fig. 3.10 SQUID fuzzy pharmacophore model for COX-2 inhibitors. Using a larger cluster radius results in more general models. From left to right 1 A, 1.5 A, 2.5 A, 3.5 A. Fig. 3.10 SQUID fuzzy pharmacophore model for COX-2 inhibitors. Using a larger cluster radius results in more general models. From left to right 1 A, 1.5 A, 2.5 A, 3.5 A.
Fig. 3.13 (a) SQUID fuzzy pharmacophore model of Tat-TAR interaction inhibitors, (b) Alignment of the best hit (colored by atom types) found with SQUID with the reference alignment (red, acetylpromazine green, fragment of CGP40336A). [Pg.76]

An example of fuzzy pharmacophores is shown in Figure 13.7 (S. Renner, G. Schneider, unpublished results) [56], Three known COX-2 inhibitors, 5 (SC-558),... [Pg.355]

Figure 7.12 Bioisosteric replacement of 2-methylpropionic acid in 7.6. These fragments were suggested by SQUIRRELnovo based on shape matching (mesh) and pharmacophore point scoring (LIQUID fuzzy pharmacophore method). All bioisosteres have been proven to exhibit the desired bioactivity as building-blocks for PPAR agonists. Figure 7.12 Bioisosteric replacement of 2-methylpropionic acid in 7.6. These fragments were suggested by SQUIRRELnovo based on shape matching (mesh) and pharmacophore point scoring (LIQUID fuzzy pharmacophore method). All bioisosteres have been proven to exhibit the desired bioactivity as building-blocks for PPAR agonists.
Tat-TAR RNA interaction found with a fuzzy pharmacophore model. ChemBioChem, 6, 1119-1125. [Pg.1155]

Bonachera, F., Parent, B., Barbosa, F., Froloff, N., and Horvath, D. (2006) Fuzzy tricentric pharmacophore fingerprints. 1. Topological fuzzy pharmacophore triplets and adapted molecular similarity scoring schemes. Journal of Chemical Information and Modeling, 46, 2457-2477. [Pg.146]

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See also in sourсe #XX -- [ Pg.356 ]



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Fuzzy

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Fuzzy Pharmacophore Models

Fuzzy Pharmacophores SQUID

Fuzzy pharmacophore modeling

Fuzzy pharmacophore triplets

Pharmacophor

Pharmacophore

Pharmacophores

Pharmacophoric

Topological fuzzy pharmacophore triplet

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