Novel purine-linked 1,2,3-triazole derivatives as effective anticancer agents: design, synthesis, docking, DFT, and ADME-T investigations.

ABSTRACT: The elaboration of a new family of purine molecules bearing triazole-acetamide units is presented. The structure assigned to such molecules was verified by various techniques, including FT-IR, NMR (¹H/¹³C), and HRMS analysis. The anticancer activity of the resulting compounds was evaluated in vitro against human lung cancer A549, cervical cancer HeLa, and colorectal cancer HCT116 cell lines. Some of the compounds were much more effective than the standard drug doxorubicin (DXN). Toxicity assessments using a healthy cell line indicated that most compounds displayed some level of toxicity, with only a few exceptions. Notably, compounds 5a, 5b, 5e, 5i, and 5j, unveiled significant cytotoxicity, resulting in notable inhibitory concentrations in cell survival against A549

SUBMITTER: Shaik KM 

PROVIDER: S-EPMC12287522 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature