Development of a triazole-linked bis-organosilane compound as dual-function agent: Sensing of Al3+ ion in aqueous environments and inhibition of HIV-1 protease

• Published in: Journal of molecular structure Vol. 1319; p. 139572
• Main Authors: Singh, Gurjaspreet, Malik, Pooja, Thakur, Yamini, Khurana, Sumesh, Sharma, Samiksha, Sushma, Ritika, Kumar, T.J. Dhilip, Singh, K.N.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 05.01.2025
• Subjects: Aluminium ion; Antioxidant; Bis-organosilane; HIV-1 protease inhibitor; Molecular docking; Triazole; Aluminium ion; Bis-organosilane; Triazole; Antioxidant; HIV-1 protease inhibitor; Molecular docking
• ISSN: 0022-2860
• DOI: 10.1016/j.molstruc.2024.139572

•1,2,3-triazole-linked bis-organosilane (Compound 6) was successfully synthesized.•Compound (6) provides a swift and precise detection of Al3+ ions, with an LOD of 57.18 × 10−8 M.•The synthesized Compound (6) demonstrated successful Al3+ ion detection in real-water samples.•Compound (6) exhibits significant radical scavenging activity.•We explored the inhibitory potential of compound (6) against HIV-1 protease through molecular docking studies. The increasing applications of aluminum metal have led to rising concerns regarding its adverse environmental impacts, particularly on marine life and human health, necessitating its efficient detection. Bis-organosilane compounds hold a pivotal position in organosilicon chemistry, contributing significantly to industrial processes and scientific research. In this study, a synthesized bis-1,2,3-triazole-linked bis-organosilane was employed as a sensor for the selective detection of Al³⁺ ions in a MeOH: H₂O (7:3, v/v) solvent system. This sensor demonstrated high selectivity and strong anti-interference capabilities, even in the presence of other metal ions. The detection limit for Al³⁺ was found to be significantly lower than the WHO-prescribed limits for drinking water. Using an actual water sample analysis experiment, its practical utility was also investigated. Additionally, bis-organosilane (6) capability as an antioxidant to stabilize free radicals was also tested. Given the biological significance of triazoles, compound (6) was evaluated for its inhibitory activity against HIV-1 protease using molecular docking tools. the current study emphasizes bis-organosilane (6) as an Al3+ sensor with dual activity as a possible HIV medication and a significant antioxidant. The present work highlights the design, and synthesis of a new Triazole allied bis-organosilane functionalized probe for the selective detection of Al3+ ion, its real sample analysis, Antioxidant activity, and investigation to test its inhibitory activity against HIV-1 protease by molecular docking study. [Display omitted]