Figure 5

Target analysis of vidofludimus. A Docked conformation of chloDHODH with Vi. The compound and protein are represented as sticks and cartoons, respectively. Vi is colored orange and the protein chloDHODH is colored green. The binding site is shown as cavity structure. The binding energy of the Vi-chloDHODH complex is marked with an asterisk. B RMSD values of chloDHODH (black), Vi (red), and complex (Vi & chloDHODH, blue) over the 100 ns simulation time. C Number of hydrogen bonds involved in the interaction between chloDHODH and Vi during the MD simulation.