Figure 6.

(A–D) SB pharmacophore models SB1 and SB2 generated using LS. The automatically generated models (A) and (C) were based on the β-tubulin X-ray crystal structures (PDB: 5CA1)³⁴ and (PDB: 6O5M),³⁹ respectively. Pharmacophore models were automatically generated with ligands 5 and 2 cocrystallized in the CBS. (B) SB1 model optimized features with additional LB features added. (D) SB2 model with optimized features. HC, yellow spheres; AI, purple circle; HBD, green arrows/spheres; HBA, red arrows/spheres.