43.47 to – 21.61 kcal/mol while erlotinib, an approved drug, showed interaction at – 45.49 kcal/mol. Eight vinyl sulfones were chosen using the interaction energy lower than – 37.5 kcal/mol. These compounds can interact with important surrounding residues in ATP-binding pocket of EGFR-TK via H-bonding, pi interactions and van der Waals (vdW) forces. Physical properties … Continue reading Identification of Vinyl Sulfone Derivatives as EGFR Tyrosine Kinase Inhibitor: In Vitro
and In Silico Studies