Aldol-click generated silane: A turn-on fluorescent sensor for Al3+ ion and exploring its anti-Alzheimer activity via molecular docking

Alzheimer's disease (AD) is one of the leading neurodegenerative disorder whose cure is yet to be developed. Elevated levels of Aluminium ion and acetylcholinesterase in brain tissue are main concern for progression of AD. Hence, both detection of Aluminium ion and inhibition of acetylcholinesterase are important research areas that have gained attention. Aldol-generated chalcones and Click-derived triazoles are among the emerging privileged scaffolds for selective and sensitive detection of metal ions and as promising pharmacological drugs. The present work focuses on design and development of ‘chalcogenyl-based triazole coupled organosilane’ that could selectively detect neurotoxic Aluminium ion. The binding strength and ratio between the two was discovered from B–H plot and Job's plot method respectively from fluorescent studies. Further linear calibration curve was utilized to calculate the limit of detection (LOD). The possible binding site of chemosensor for Aluminium ion has been recognized from 1H NMR studies and DFT calculations. Molecular docking, a computational approach was used to scrutinize the synthesized ‘chalcogenyl based triazole coupled organosilane’ as whether it could inhibit the activity of acetylcholinesterase and thus be further examined as potent pharmacological drug in treatment of AD.