Fig. 4

A computational chemoinformatics study to estimate the binding affinity of ligands over the IL-6 macromolecules. A–H Chemoinformatics screening in a space with dimensions (x = 50.1208, y = 43.5466, and z = 51.0263) evaluated the molecular docking affinity between IL-6 macromolecules and bioactive compounds obtained from propolis as small molecules/ligands. The molecular docking analysis showed that all small bioactive molecules isolated from propolis had received acceptable binding affinities scores. Kaempferol binds to the active site of IL-6 and has the library's highest affinity score of all small bioactive molecules