2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4H-Chromen-4-One Flavones Based Virtual Screening for Potential JAK Inhibitors in Inflammatory Disorders
Abstract This computational work uses ligand-based virtual screening and molecular docking simulations to uncover and characterize anti-inflammatory flavones. Flavones with experimental validation and anti-inflammatory activities were chosen for the investigation. The three-dimensional structure of Janus kinase (JAK) from Protein Data Bank (PDB) was extensively processed to ensure its quality and reliability. R and R-free values, […]