Molecular Modeling Guided Drug Designing for the Therapeutic Treatment of Rheumatoid Arthritis

Figure 3

3D and 2D docked ligand-receptor complexes showing inhibition of respective receptors: (a) calycosin 7-O-glucoside is completely covering the active site of IL-6 with -10.751 kcal/mol binding affinity, (b) angeliferulate shows complex intermolecular attractions with binding affinity of -10.9376 kcal/mol to inhibit HLA-DR active site, and (c) the activity of CD20 is inhibited by binding of ofatumumab with -10.3737 kcal/mol binding affinity at the active site.

(a)

(b)

(c)