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. 2020 May 27;15(5):e0233089. doi: 10.1371/journal.pone.0233089

Fig 3. Ibrutinib and suramin are inhibitors of VEGFR2.

Fig 3

A. Dose response curves for ibrutinib (KD value of 2μM) and suramin (KD value of 25μM) from the competition binding assay determined with the KINOMEscan TM by DisvcoverX prove that ibrutinib and suramin are μM inhibitors of VEGFR2. B. Structural repositioning based in interaction of inhibitors (orange) to their targets (blue), predicts ibrutinib as VEGFR2 inhibitor since ibrutinib’s interaction to CDPK1 is similar to pazopanib’s interaction to VEGFR2. Both have (1) a double hydrogen bond (blue lines) and (2)(3)(4)(5)(6) hydrophobic interactions (gray dashed lines) in common. Similarly, suramin is predicted as VEGFR2 inhibitor. They have (1) a double hydrogen bond, (2) a simple hydrogen bond, (3)(4)(5) hydrophobic interactions and (6) a salt bridge (yellow dashed lines) in common. Subsequent in vitro validation proves both predictions correct.