Microwave-Assisted Synthesis and Molecular Docking Studies of New Azole Derivatives as Potential Anticancer Activity

In this work, the synthesis and characterization of novel azole derivatives by microwave assisted method were carried out. The azole nuclei condensed with imidazole, indole-2-one and sulphonyl moieties in the novel azole hybrids-MNSR (3a-d, 4a-h) to produce effective anticancer agents. All structures were confirmed by spectral analysis and yield was found to be in the range from 75-90%. Their anticancer activity was determined by MTT based assay with MCF-7 cell lines. Anthelmintic activity was performed by Indian earthworms and molecular docking studies were performed with EGFR enzyme by Schrödinger suite. Compound MNSR-3b at 12.36 ± 0.32 µg/mL, MNSR-4d at 19.12 ± 0.23 µg/mL showed to be more potent anticancer activity, whereas compound MNSR-3c, MNSR-4a, 4d, 4h showed excellent anthelmintic activity when comparing with the standard albendazole. Compounds MNSR-3b, MNSR-4d showed good binding affinity to EGFR with respective binding energies -8.833 and -8.483 kcal/mol.