Table 1.
Lead molecule | Target with PDB | Amino acids involved in Interactions | Affinity (kcal/mol) | H-bonds |
---|---|---|---|---|
Diacerein | IL-6 (PDB: 1N26) | LYS 45, GLY 73,PRO 46, ALA 47, SER 72, LEU 90, HIS 70, VAL 91, GLN 68, LEU 69, ASP 92, THR 124, LEU 123, VAL 93, SER 122 | -8.4 | 2 |