Figure 8.

Interaction pattern of ANO1 inhibitors to hANO1. (A), (C), and (E): The interaction pattern of ANO1-inhibitors; yellow line, hydrogen bond; cyan line, π‒π stacking; green line, cation‒π interaction; pink line, electronic interaction. (B), (D), and (F): Interaction diagram during 10–0 ns molecular dynamic simulations. The percentage values on the interaction line represent the time proportion of this interaction over the course of the trajectory: for example, a value of 70% suggests that 70% of the simulation time the specific interaction is maintained. Values over 100% are possible as some protein residue may make multiple contacts of the same subtype with the ligand.