A Piperazine‐Appended Triazole for Zn(II) Sensing and Anticancer Activity: Validation Through Photophysical and Biological Evaluations

Abstract

Zinc is an essential trace metal involved in numerous biological processes; however, its abnormal concentration can adversely affect biological systems and aquatic environments. Therefore, the development of sensitive and selective chemosensors for the detection and monitoring of zinc is of considerable importance. Cervical cancer also persists as a major global health burden, underscoring the need for effective therapeutic strategies. In this work, we report the synthesis and comprehensive characterization of a new piperazine‐appended triazole ( 5 ) derivative using FT‐IR, NMR ( 1 H and 13 C), and mass spectrometry. Its sensing behavior, evaluated through UV–visible spectroscopy, revealed exceptional selectivity toward Zn(II) over other competing metal ions. The compound 5 exhibited a detection limit of 1.6 × 10 −7  M and an association constant of 0.23 × 10 6 M −1 . DFT studies were carried out to investigate the stability and electronic interactions of the 5 ‐Zn(II) complex. Additionally, it reduced cervical cancer cell viability by 64.95% compared to untreated controls. Molecular docking with the Matrix metalloproteinases (MMPs) protein showed a binding energy of −7.30 kcal/mol and an inhibition constant of 4.46 µM. Collectively, the sensing results highlight the potential of compound 5 as an efficient Zn(II) chemosensor. Additionally, compound 5 demonstrated preliminary anticancer potential and cytotoxic activity; however, further biological investigations are required to validate its anticancer potential.