Coupling of Some Fluoride Derivatives to VEGFR-1 and EPHB4 Using a Theoretical Model

Several drugs such as sanguinarine, NVP-VHG712, QDAU5, and VDAU1-11 have been used to treat some cancer cells; however, their interaction with VEGFR-1 AND EPHB4 is not clear. For this reason, in this study, the coupling of some fluoride derivatives (1-36) with VEGFR-1 AND EPHB4 was determined using the 2VWX and 3HNG proteins as theoretical tools. In addition, sanguinarine, NVP-BHG712, QDAU5, and VDAU-11 were used as controls in the DockingServer program. The results showed differences in the number of amino acid residues involved in the coupling of fluoride analogs with the 2VWX and 3HNG proteins compared with the controls. Besides, the fluoride derivatives 6 and 10 have a higher affinity for the 2VWXprotein surface compared to the compounds 1, 3-5, 7-9, and 11-36. Other data indicate that fluorinated analogs 6, 12, 27, and 29 have a higher affinity for the 3HNG protein compared to the compounds 1-5, 7-11, 13-26, and 30-36. In conclusion, these data suggest that the fluorinated derivatives 6, 10, 12, 27, and 29 could act as inhibitors of EGFR-1 and EPHB4. Therefore, these compounds could be good candidates for evaluating their activity in some biological model.