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庆大霉素功能化四苯乙烯分子探针用于高选择性检测牛血清白蛋白蛋白。

Aminoglycoside antibiotic kanamycin functionalized tetraphenylethylene molecular probe for highly selective detection of bovine serum albumin protein.

机构信息

School of Chemical Sciences, Goa University, Taleigao Plateau, Goa, 403206, India.

Polymers and Functional Materials Division CSIR-Indian Institute of Chemical Technology, Hyderabad, Telangana, 500007, India.

出版信息

Sci Rep. 2022 Jul 7;12(1):11526. doi: 10.1038/s41598-022-15890-4.

Abstract

A novel tetraphenylethylene (TPE) functionalized aminoglycoside antibiotic kanamycin (TPE-kana 1) has been successfully synthesized and characterized by means of modern analytical and spectroscopic techniques. The probe TPE-kana 1 showed strong affinity towards bovine serum albumin (BSA) compared to its other biological competitors. The recognition of BSA have been investigated employing UV-Vis absorption and fluorescence emission spectroscopy. The significant color change of TPE-kana 1 with BSA can be observed by necked eye, where the role of AIE-active TPE molecule is handle in both optical and colorimetric changes. The quenching of fluorescence of TPE-kana 1 with BSA was characterized by fluorescence spectroscopy, with 71.16% of quenching efficiency. Moreover, the Stern-Volmer quenching constant was calculated and found to be 2.46 × 10 M. Probe TPE-kana 1 showed detection limit of 2.87 nM (nM) towards BSA with binding constant 7.56 × 10 M. A molecular docking study is also performed to investigate the detail interactions between TPE-kana 1 with the sites of BSA via non-covalent i.e., H-bonding, π-cation interactions, π-donor hydrogen bonds and π-π interactions. The lowest binding energy conformation was found at - 10.42 kcal/mol.

摘要

一种新型的四苯乙烯(TPE)功能化氨基糖苷抗生素卡那霉素(TPE-kana 1)已通过现代分析和光谱技术成功合成和表征。与其他生物竞争物相比,探针 TPE-kana 1 对牛血清白蛋白(BSA)具有很强的亲和力。通过紫外-可见吸收和荧光发射光谱研究了对 BSA 的识别。可以通过颈状眼睛观察到 TPE-kana 1 与 BSA 的显著颜色变化,其中 AIE 活性 TPE 分子在光学和比色变化中都起着作用。通过荧光光谱对 TPE-kana 1 与 BSA 的荧光猝灭进行了表征,猝灭效率为 71.16%。此外,还计算了 Stern-Volmer 猝灭常数,发现其为 2.46×10 M。探针 TPE-kana 1 对 BSA 的检测限为 2.87 nM(nM),结合常数为 7.56×10 M。还进行了分子对接研究,以通过非共价即氢键、π-阳离子相互作用、π-供体氢键和π-π相互作用来研究 TPE-kana 1 与 BSA 位点之间的详细相互作用。发现最低结合能构象为-10.42 kcal/mol。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cdc6/9263133/218a78da1c02/41598_2022_15890_Fig1_HTML.jpg

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