Cu(ii) complex of a furoic acid-derived amide-imine conjugate for fluorescence detection of Th4+ with anticancer and molecular docking studies.

A furoic acid derived amide based imine derivative has been employed to prepare a copper complex (C2) which is characterized by different analytical as well as spectroscopic techniques and, structurally authenticated by SC-XRD analysis. The C2 is explored for selective detection of Th4+ in ethyl acetate medium via 'turn-on' fluorescence, following the metal ion displacement protocol. The associated binding constant and detection limit for Th4+ are 3.03 × 105 M-1 and 7.58 nM respectively. ESI-MS spectrum and Job's plot confirm 1 : 1 (mole ratio) stoichiometric interaction. The C2 shows cytotoxicity against human colon cancer cell lines such as HCT 116 and a breast cancer cell line, MCF 7 having IC50 values of 2.07 µM and 1.72 µM, respectively. Moreover, molecular docking studies unveil drug-like behavior, along with the mode of action of C2 towards retrieved proteins.