Triazolo pyrimidine derivatives of coumarin and benzocoumarin: green synthesis, biological activity screening study with in silico evaluation.

ABSTRACT: In the current study, triazolo pyrimidine coumarin and benzocoumarin derivatives were prepared using green methods as a fast and cost-efficient strategy in comparison with the traditional method in terms of reaction time and yield. Combining coumarins with other bioactive compounds could improve the anticancer properties and other biological activities. Therefore, both compounds were evaluated in silico as potential early-stage small molecule inhibitors of three targets, which cause four life-threatening diseases: leukaemia FLT3 (PDB: 4XUF), SARS-COV-2 (3CLpro) (PDB: 6M2N), and adenosine A1 receptors A1R (PDB: 5N2S), which could cause heart failure and Alzheimer's disease. It was discovered that both compounds show promising results against the three targets. However, benzocoumarin shows a

SUBMITTER: Hassanain HM 

PROVIDER: S-EPMC12519810 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature