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. 2019 Dec 2;9:18143. doi: 10.1038/s41598-019-54211-0

Figure 4.

Figure 4

Molecular modeling of the interaction of VEGFR-2 with sGAG derivatives. Representative snapshots from 20 ns MD simulations of most favorable binding sites and modes of (a) sHA3 dp6 (ΔGVEGFR-2/sHA3 = −22.8 ± 3.2 kcal/mol) and (b) psHA dp4 (ΔGVEGFR-2/psHA dp4 = −43.0 ± 4.4 kcal/mol) in complex with VEGFR-2. VEGFR-2 is depicted in yellow cartoon representation with relevant interacting residues colored brown and labeled. Receptor residues recognizing GAG and also VEGF165 are shown in sticks colored by atom type and are labeled (underlined). For illustrative purposes, VEGF165 (not taken into account for calculations) is shown in grey cartoon transparency (dark and light representing each monomer) in the left panels. GAG derivatives are shown in stick and colored by atom type.