Synthesis, characterization, and anticancer evaluation of <i>N-</i>Heterocyclic entities: ADME profiling and <i>In Silico</i> predictions.

ABSTRACT: This study aimed to synthesize a novel series of N-heterocyclic compounds and evaluate their integrated pharmacological potential by coupling in vitro selective cytotoxicity on tumor and normal cell lines with predictive in silico ADME-Tox profiling. This research highlights the anti-cancer potential of twelve synthesized compounds, five of which are new chemical entities never before described in the literature. Their detailed structural characterization (NMR ¹H, ¹³C, IR), combined with in silico predictions (ADME-Tox), confirmed their ability to cross essential biological barriers, in particular the intestinal membrane and, for certain derivatives, the BBB. Biological evaluations conducted on SH-SY5Y (neuroblastoma) and HCT116 (colorectal

SUBMITTER: Abbaoui Z 

PROVIDER: S-EPMC12775995 | biostudies-literature | 2026 Jun

REPOSITORIES: biostudies-literature