Anticancer Potential of a Novel Benzothiazole-Derived Heterocyclic Compound: In Vitro, In Vivo, and Molecular Docking Studies

Anticancer Activity of a Novel Benzothiazole Compound

Abstract

Background: Benzothiazole (BTA) is a potent organic compound with numerous biological and medicinal effects, making it a valuable tool for drug development. The purpose of the study: This study aims to produce a heterocyclic compound belonging to benzothiazoles, which are known for their great medical effectiveness, and to test their biological effectiveness against cancer cell growth. Methods: The exposure to A2 compound (1-(benzo[d]thiazol-2-yl) pyrazolidine-3,5-dione) was 72 hours, followed by adding 200 µL of crystal violet stain solution to each well and incubating at 37°C for 30 minutes. A molecular docking experiment was conducted using the crystallographic framework of the epidermal growth factor receptor (EGFR) to evaluate the binding strength of the compound to this receptor. The lethal dose (LD50) was determined using the Miller and Tainter method. Results: Even at a lower concentration of 6 µg/ml A2 compound appears to have greater cytotoxicity against SKG-T4 cells and AMGM5, while lower cytotoxicity to inhibition of rat embryo fibroblasts (REF) in exposure time at 72 h and has good affinity at the active site of EGFR due to the formation of hydrogen bonds with critical amino acids, in acute toxicity experiments, the LD50 of compound A2 was determined to be 52.31 mg/kg.
Conclusion: The A2 compound, although present in a reduced amount, shows elevated cytotoxic effects on SKG-T4 cells and AMGM5, but shows decreased cytotoxicity toward REF cells after 72 hours. Furthermore, it shows a robust attraction to the active site of the EGFR.