Click derived organosilane assembled with nano platform for the detection of Cu2+ ions: Biological evaluation and molecular docking approach

• DOI: 10.1016/j.saa.2023.122618
• Publication Date: 2023-03-12T06:37:08Z
• Authors: Gurjaspreet Singh; Mohit; Pawan; Sanjay Sharma; Anita Devi; Swati Devi; Richa Yadav; Rakesh Sehgal; Brij Mohan
• Keywords: Molecular Docking Simulation; Ions; Drinking Water; Organosilicon Compounds; Copper; Anti-Bacterial Agents

Metal ions have active roles in biochemical, industrial, and environmental processes. The design and development of new rapid sensing materials with advanced reasonable, compelling, and convenient, techniques are urgent. Here in this work, we design and develop sensor with the facile amalgamation of the pyrene-based organosilane (5) through a click silylation approach silicon composite for selective detection of Cu2+ ions. Physicochemical and keen methods are employed to perceive the resultant hybrid nanoparticles (H-NPs), and these nanocomposites similarly displayed a strong affection for Cu2+ ions. In addition, the identification restrictions while utilizing 5 and H-NP's towards Cu2+ found in this study are far lower than the WHO rules for drinking water. Further, organosilane (5) shows good antibacterial and antioxidant activity. The antibacterial effects of triazole-based organosilane (5), are evaluated with a molecular docking study with Escherichia coli (IJZQ) was conducted. The selected ligand was revealed to have a reasonable docking score with a binding energy of -8.40 kcal mol-1.