Microwave assisted template synthesis of metal based EGFR, TRK inhibitors, molecular docking and in vitro biological studies

Abstract

Metal based biologically active compounds have been synthesized by microwave assisted template condensation method and characterized by spectro-analytical techniques like molar conductance, UV-visible, infrared and mass spectroscopy and thermogravimetric analysis. The metal is arranged in octahedral geometry surrounded by tetradentate ligand framework. The binding affinity of all the metal complexes has been evaluated theoretically by molecular docking studies against epidermal growth factor receptor (EGFR) and tyrosine kinase (TRK) receptor molecules which are further verified by in vitro anticancer activity. Complex [Cr(C₁₆H₁₁N₄O₂)(NO₃)₂]NO₃have showed potent <em>in vitro</em> cytotoxicity (IC₅₀ value 39.5μM) against SCC4 cancer cell line. Antioxidant study has also performed by DPPH assay and significant results are found.[Fe(C₁₆H₁₁N₄O₂)(OAc)₂]OAc and [Cr(C₁₆H₁₁N₄O₂) (OAc)₂]OAc are most effective antioxidants with 78.7% and 76.8% free radical scavenging activity, respectively.