Vanillin allied 1,2,3- triazole as a selective sensor for detection of Al3+ ions: A potent inhibitor against Entamoeba histolytica

Abstract

A new set of triazoles(5a-5e) has been designed in this paper utilizing a Cu(I) catalyzed click reaction, and their characterizations have been carried out using different spectroscopic methods such as 1H and 13C NMR, TGA, and mass spectrometry. UV-Vis and fluorescence spectroscopy validated the compound5a's outstanding selectivity and sensitivity toward Al3+ ions with no appreciable interference from other metal ions.The compound 5a binds to Al3+ in 1:1 stoichiometry, as determined by Job's plot. The high value of binding constants were 2.878 × 106 M−1and 4.101 × 107 M−1, as determined by the B-H plot and the Stern-Volmer plot, respectively. The LOD values obtained from absorption and emission spectroscopy are 0.04 × 10−8 M and 0.012 × 10−9 M, respectively. MOLINSPIRATION and ADMET studies were used to determine the pharmacokinetic characteristics of the synthesized compounds. The transferase protein of the protozoan Entamoeba histolytica was used in molecular docking in-silico experiments to investigate the use of compound5a in biological areas. A high binding energy of -7.59 Kcal mol−1 and a low value of inhibition constant of 2.75µM demonstrated that the ligand may operate as a good inhibitor for this parasite and might be employed as an anti- parasitic agent in the future.