Microwave-Assisted Synthesis and Molecular Docking Studies of New Azole Derivatives as Potential Anticancer Activity
Year: 2024
Type: article
Abstract: 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.
Source: Asian Journal of Chemistry
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4405952717