Fuzzy Pharmacophores SQUID

74 I 3 Alignment-free Pharmacophore Patterns - A Correlation-vector Approach 

COX-2 inhibitors shown in Fig. 3.11 decrease in the order M5 SC-558 rofe-coxib. 

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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). 

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