Novel 2-substituted benzothiazole derivatives: synthesis, <i>in vitro</i> and <i>in silico</i> evaluations as potential anticancer agents.

ABSTRACT: Cancer remains a global health concern, demanding the development of new therapeutic medicines. This research focuses on the synthesis, in vitro evaluation, and in silico analysis of new 2-substituted benzothiazole derivatives as possible anticancer drugs. Hybrid molecules comprising benzothiazole and pyridinone rings 8a-c and 10a-c were also synthesized. Several compounds were produced and characterized, using NMR, IR and elemental analysis, with promising anticancer activity against lung H1299, liver Hepg2 and breast MCF7 cancer cell lines. Structure-activity connection investigations identified crucial structural characteristics that influence potency, with benzylidine derivatives 6a-g demonstrating higher activity. In silico ADME research revealed favorable drug-li

SUBMITTER: Azzam RA 

PROVIDER: S-EPMC12524108 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature