Synthesis, in-vitro biological evaluation, and molecular docking study of novel spiro-β-lactam-isatin hybrids

In our ongoing search for bioactive compounds, a class of novel spiro-β-lactam isatin hybrids has been synthesized through [2 + 2] cycloaddition reaction from 1-allyl-3-(arylimino)indolin-2-one, ketenes and various aryloxy acetic acids. The formation all cycloadducts was confirmed by FTIR, 1H NMR, 13C mass spectroscopy as well elemental analyses. new β-lactams were subsequently evaluated their biological activities demonstrating moderate to good against P. falciparum K1 strain. Among them, 4b 4e lead the best results with IC50 5.04 7.18 µM, respectively. molecular docking simulation dihydrofolate reductase enzyme (PfDHFR) binding site presented several important intermolecular interactions. All also antimicrobial both Gram-positive (S. aureus ATCC 25923) Gram-negative bacteria (E. coli 28922, aeruginosa 27853) but unfortunately MICs up 200 µg/mL encountered in cases.