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. 2021 Dec 2;7(12):e08522. doi: 10.1016/j.heliyon.2021.e08522

Table 1.

Binding affinities of Diacerein with IL-6 (PDB:1N26). Comparative studies were performed using AutoDock 4.0.

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