Benzothiazole-Isatin Hybrids: Synthesis, Characterization, Computational and Cytotoxic Activity Studies

The present work describes the synthesis of 3-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-1,3-dihydro-2Hindol-2-one derivatives 5(a-h) by simple condensation process and the structures were investigated using different analytical techniques such as FT-IR, 1 H NMR and HRMS. Molecular electrostatic potential (MEP) and some global parameters were examined with the aid of DFT study. The solvatochromic UV-Vis absorption study was performed in different solvents and the optical band gap (Eg) was determined through diffuse reflectance study. The fetched derivatives 5(a-h) were screened for cytotoxic activity against Breast cancer (MCF-7) and Liver cancer (HepG2) cell lines which originates in human. Compound 5a exhibited significant activity against MCF-7 cell line with IC 50 value 139.3 +/- 0.91 mu M and compound 5d displayed significant activity against HepG2 cell line with IC 50 value 134.8 +/- 0.94 mu M respectively.(c) 2022 Elsevier B.V. All rights reserved.

Automated summary

The present work focuses on the synthesis of 3-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-1,3-dihydro-2H-indol-2-one derivatives and their structural characterization using various analytical techniques. The molecular electrostatic potential (MEP) and global parameters were studied using DFT analysis. Additionally, the solvatochromic UV-Vis absorption behavior and optical band gap of the derivatives were investigated. Furthermore, the cytotoxic activity of the compounds against MCF-7 and HepG2 cell lines was evaluated.