Fig. 4

Comparison of the binding models of foretinib, cabozantinib and merestinib against MET with D1228V mutation. Using MolDesk Basic ver. 1.1.77, molecular docking simulations of foretinib, cabozantinib and merestinib with the c-Met kinase domain (wild type or D1228V mutant) were carried out. Using PyMOL (ver 2.5.2), the 3D docking model of each MET-TKI and wild-type MET was aligned to the structure of MET D1228V. A The closest distances (Å) between the quinoline or pyrazole group of cabozantinib, merestinib, or foretinib and MET V1228 were measured by PyMOL. B The closest distances between the quinoline group of modified foretinib and MET V1228 were measured by PyMOL