Figure 7. Computational modeling of TRPV4–salbutamol association.

(A) Binding conformations of salbutamol (R-isomer), derived from docking simulations, into the human TRPV4 channel (gray cartoon representation). The salbutamol molecule is represented as sticks colored by atom types—C in green, O in red, N in blue, and H in white. Four clusters of docked conformations were obtained. (B) Lowest score docking pose in each cluster. TRPV4 residues at 5 Å of the salbutamol molecule are shown as sticks (C in gray).