Fig. 7 | Scientific Reports

Fig. 7

From: Targeted design, synthesis, molecular dynamics, ADME and in –vitro anticancer assessment of oxo-tetrahydro-pyrimidin-benzenesulfonamide hybrids as potential BRAFV600E inhibitors

Fig. 7

The 3D structures of the designed molecules in complex with the BRAF protein, captured from the final frame of 300 ns molecular dynamics simulations. Only protein residues contributing more than − 1.5 kcal·mol−1 to the binding free energy, as determined by MM/GBSA decomposition analysis, are highlighted for clarity. [software ChimeraX, (version 1.8)].

Back to article page