Figure 2 | Scientific Reports

Figure 2

From: Identification of hepta-histidine as a candidate drug for Huntington’s disease by in silico-in vitro- in vivo-integrated screens of chemical libraries

Figure 2

Docking simulation of poly(amino acids) to Ku70.

(a) Probabilities of interaction between polyglutamine peptides and 26 potential surfaces of Ku70 are shown as LibDock scores expected by Discovery Studio. (b) Image showing the simulation of the interaction of hexa-glutamine (6Q) at site 4 of Ku70 expected by Discovery Studio. (c) LibDock scores (scores for expected binding affinity) of various lengths of polyglutamine peptides in a binding simulation with site 4. (d) The 20 polypeptides with the highest LibDock scores for binding to site 4. 7H had a higher score than did polyglutamine of various lengths (polyQs). (e) LibDock scores of various lengths of polyhistidine peptides for simulations of binding at site 4.

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