Figure 1. High-throughput virtual screening of ChemBridge database: (a) Heatmap representation of docking energies of ChemBridge compounds with PI3KCG, PI3KCD, PI3KCA, PI3KCB, and BRAFV600E in -ve scale (kcal/mol). (b) CB-006-3 binding with PI3KCG. (c) PI3KCG amino acid residue interactions with CB-006-3. (d) Predicted docking pose of CB-006-3 to PI3KCD and (e) amino acid residue contacts between PI3KCD and CB-006-3. (f) CB-006-3 docking pose with BRAFV600E active site. (g) Protein-ligand interaction analysis depicting BRAFV600E residue interactions with CB-006-3.
