Virtual screening of binding affinity between proteins and ligands
Based on the PPIs network analysis of hub genes, we predicted ADIPOQ and IL-6 as cut-point nodes and suitable genes/proteins for affecting the network function. According to these data, molecular docking was conducted to estimate binding affinity between ADIPOQ and IL-6 as macromolecules and bioactive compounds derived from propolis as small molecules/ligands. The output of molecular docking is presented in Fig. Virtual screening of binding affinity between ADIPOQ macromolecules and ligands. A computational chemoinformatics study to estimate the binding affinity of ligands over the IL-6 macromolecules. Molecular docking scoresPhysicochemical properties, solubility, pharmacokinetics, drug-likeness, and medicinal chemistry properties of propolis effective bioactive compounds are predicted by the SwissADME database