Tryptophan-based fluorescent sensor for selective Cu2+ detection in aqueous media and its docking study for anticancer effects

Abstract

In this study, an efficient copper (II) chemosensor was introduced. This chemosensor had a different response in fluorescent spectra, and the interaction between Cu2+ and tryptophan hydrazide (TH) was substantiated as a static quencher. In addition, there is a good relationship between the fluorescent intensity of tryptophan-based fluorescent and the concentration of Cu2+ ions with a detection limit of LOD = 24.32 x 10−5 M. The interference by many other cations was also evaluated, which was almost negligible. The docking calculation of this chemical with protein PDB: 5vc3 and PDB: 2xp2 protein PDB: 5vc3 and PDB: 2xp2 was performed, exhibiting significant anticancer potential as well. The present research also focused on the use of molecular docking calculation with a significant role in drug design. The protein three-dimensional (3D) structure of protein PDB: 5vc3 and PDB: 2xp2 were isolated from the protein data bank and docked with tryptophan derivatives. The docking results confirmed that the tryptophan derivatives had the best docking score −7.5–7.6 kcal/mol with PDB: 5vc3 and PDB: 2xp2 protein for breast cancer. The study demonstrated that this compound can function as both a chemosensor for the detection of metal ions and as a bioactive agent with potential anticancer properties.

Keywords

• Tryptophan hydrazide (TH)
• Cu2+ ions detection
• Docking
• Anticancer activities
• Chemosensor