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

Autor: Ghodsi Mohammadi Ziarani, Shikofa Khorrami, Fatemeh Mohajer, Sunil V. Gaikwad, Najibullah Hassani, Alireza Badiei, Siavash Iravani, Rajender S. Varma
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: Results in Chemistry, Vol 7, Iss , Pp 101362- (2024)
Druh dokumentu: article
ISSN: 2211-7156
DOI: 10.1016/j.rechem.2024.101362
Popis: 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.
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