Figure 8.

Schematic representation of BVNP‐0197 docked to NGF as determined by molecular modeling. Flexible theoretical docking experiments predict that the bivalent naphthalimide scaffold is suited to bind at the loop II/IV cleft of NGF. (A) Four hydrogen bonds are represented at residues Asn43, Thr92 and Trp99 of NGF to stabilize BVNP‐1097 within the loop II/IV cleft. (B) The differences in electrostatic potential at the docking domain. Blue areas represent electron‐poor regions where a gradient to red represents electron‐rich regions.