Abstract
In the present study, a novel series of new furanone-based benzothiazole derivatives (
) were synthesized from 4-(benzo[
]thiazol-2-yl)-4-oxobutanoic acid (
) as potential anticancer agents.
cytotoxicity against three human cancer cell lines (A549, MCF7, and DUI45) revealed substantial activity. Di-substituted compound,
emerged as a promising anticancer compound which showed IC
values of 7.2 ± 0.5, 6.6 ± 1.4, and 7.3 ± 0.1 µM against A549, MCF7, and DUI45 cell lines, respectively. Four compounds
,
,
, and
evaluated for their acute toxicity were found to be non-toxic on the two vital organs (liver and heart). Further, these compounds were found to be more efficient and less hepatotoxic in comparison to standard drug doxorubicin. Molecular docking studies carried out with VEGFR-2 revealed compounds
and
as potential VEGFR-2 kinase inhibitors.
ADME evaluation was carried out to estimate and predict drug-likeness. Compound
demonstrated the best ADME parameters. Based on the results of docking analyses, ADME, and
cytotoxicity, compound
is identified as the lead compound for further development of anticancer agents.