Table 1. Selection of Terminal Aryl Group Based on Docking and Molecular Dynamics Simulation of Various Triazole Derivatives^c.

^aPercent inhibition at 3 μM of binding of fluorescent antagonist 4 (20 nM) in P2Y₁₄R-CHO cells (n = 3). NS, not synthesized.

^bStructure in Chart 1.

^cAll ligands were docked to a 10 ns molecular dynamics refined 3-bound P2Y₁₄R homology model.