Work

Ultrasound Irradiated Synthesis and Characterization of Dispiropyrrolidines Grafted Rhodanine‐3‐acetic Acid Moiety: Anticancer and In Silico Activities

Year: 2024

Type: article

Abstract: Fourteen dispiropyrrolidines were synthesized through a [3 + 2] cycloaddition reaction using ultrasound irradiation involving isatin, sarcosine, and derivatives of 5‐benzylidine rhodanine‐3‐acetic acid and characterized using UV–visible, IR, and NMR analysis. The inhibitory potential of these compounds against the HeLa cell line was assessed using the MTT assay. Compounds 4i and 4j displayed promising activity, showing IC 50 values of 71.41 µM and 70.54 µM, respectively. The exhibited inhibitory effects compared to Sorafenib, a reference drug with an IC 50 of 10.78 µM. In pursuit of a better understanding of molecular interactions, a molecular docking study was performed employing AutoDock Vina, focusing on the HPV protein. Among the synthesized compounds, the most potent molecules 4i and 4j showed a binding affinity of −7.4 and −7.3 Kcal/mol, respectively.

Source: ChemistrySelect

DOI: 10.1002/slct.202403489