Figure 8 | Scientific Reports

Figure 8

From: Discovery of potential natural dihydroorotate dehydrogenase inhibitors and their synergism with brequinar via integrated molecular docking, dynamic simulations and in vitro approach

Figure 8

Protein–ligand interactions in molecular dynamics simulation of (A) hDHODH & silibinin, (B) hDHODH & silychristin B, (C) hDHODH & 27-O-β-D-glucopyranosyl viscosalactone B and (D) hDHODH & brequinar complexes at the end of 100 ns. (E) RMSD of compounds silibinin, silychristin B, 27-O-β-D-glucopyranosyl viscosalactone B and brequinar from the beginning to the end of 100 ns.

Back to article page