Fig. 4 | Scientific Reports

Fig. 4

From: Mechanisms of diterpenes from Scutellaria Barbata D. Don against colorectal cancer via network pharmacology and experimental verification

Fig. 4

Molecular dynamics simulations of top binding affinity for BZL-2/TLR4 (7AAH), BZL-5/TLR4 (7AAH), BZL-4/HIF1A (1H2M), BZL-5/HIF1A (1H2M). RMSD Conformational dynamics analysis (A), RMSF Conformational dynamics analysis (B), Rg Conformational dynamics analysis (C), Intermolecular hydrogen bonds between protein-ligand (D), free energy landscape plot (E).

Back to article page