Synthesis of naphthalimide derivatives bearing benzothiazole and thiazole moieties: In vitro anticancer and in silico ADMET study

Abstract

Herein, we report the synthesis and characterization of 1–16 new naphthalimide derivatives. These compounds 1–16 were tested for their anticancer activity against cancerous cells B16F10, MCF7, PANC1, and CHO cell lines. Among these substances, the derivatives 2 and 6 showed moderate cytotoxicity against B16F10 cell lines in vitro. Whereas, compound 14 exhibited excellent cytotoxic activity against B16F10, MCF7, and PANC1 cells. Molecular docking study also revealed that compounds 2, 6 and 14 are potent candidate and can be used for leads in drug discovery process. The pharmacokinetics and toxicity profile of compounds 1–16 were accessed through the prediction of absorption, distribution, metabolism, elimination, and toxicity (ADMET) parameters. The in vitro cell line and molecular docking study results indicate that the compounds 2, 6 and 14 are good candidates for further structural manipulation and assessment for a new generation of more potent cytotoxic agents.