A novel dual chemosensor for selective heavy metal ions Al3+, Cr3+ and its applicable cytotoxic activity, HepG2 living cell images and theoretical studies

A Schiff base of 2-((E)-(2-amino-5-methylphenylimino)methyl)- 5-(difluoromethoxy)phenol and its applications on fluorescent chemosensor for selection of Mg2+ ion, molecular docking, and anticancer activity

“…The protein was first prepared using the protein preparation wizard and the docking experiments within Maestro 9.5 were conducted using Schrodinger's Glide program. Ligand preparation was carried out using LigPrep, followed by the minimization and optimization of the force field for liquid simulations (Dodda et al, 2017). The G score was measured in kcal/mol, which included hydrogen bonds, internal strength, hydrophobic interactions, stacking interactions, ligand-protein interaction energies, and square deviation and desolvation of the center.…”

“…The cell viability (%) of the ligand and its various concentrations (Dhineshkumar et al, 2019) with its respective IC 50 values are given in Table 1. Plots of the HeLa cell line viability and the concentration of the ligand treatment are shown in Figure 12.…”

“…It was an electron transfer that contributed to the energy level from HOMO to LUMO. However, the imine group of C=N isomerization and PET of probe R may also be responsible for fluorescent nature in the coordinate complex 1:1 ratio (Dhineshkumar et al, 2018).…”

“…The hydrogen atoms were split with fluorine atoms and linked to oxygen atoms, while all the remaining hydrogen atom were split with their positions. Mulliken charge was based on estimating calculation partial atomic charges from the computational chemistry in working Mulliken population analysis (Arockia doss et al, 2020;Dhineshkumar et al, 2020).…”

A Significant Fluorescence Turn-On Probe for the Recognition of Al3+ and Its Application

“…Compared with the above detection methods, fluorescence analysis has gradually become an effective tool in the field of analysis and detection, not only due to its advantages of high sensitivity, as well as low detection limit, but also owing to its visual recognition and low intracellular toxicity [18][19][20][21][22][23][24][25][26][27][28][29]. Considering some Al 3+ fluorescent probes suffer from unacceptable factors, such as the complex synthesis routes, interferences by other co-existence metal ions, and insolubility in water, Molecules 2022, 27, 2569 2 of 15 the development of an efficient Al 3+ fluorescent probe with high sensitivity, as well as good application prospects, still attracts worldwide attention [2,[30][31][32][33][34][35].…”