Algethami Faisal K, Rabti Amal, Mastouri Mohamed, Ben Aoun Sami, Abdulkhair Babiker Y, Raouafi Noureddine
Department of Chemistry, College of Science, Imam Mohammad Ibn Saud Islamic University, P.O. Box 90950, Riyadh, 11623, Saudi Arabia.
Sensors and Biosensors Group, Analytical Chemistry and Electrochemistry Lab (LR99ES15), University of Tunis El Manar, Tunis El Manar, 2092, Tunis, Tunisia.
Talanta. 2023 Jun 1;258:124445. doi: 10.1016/j.talanta.2023.124445. Epub 2023 Mar 11.
In silico evaluation of aptamer/target interactions can facilitate the development of efficient biosensor with high specificity and affinity. In this work, we present in silico, i.e. structural similarity, molecular docking and molecular dynamics selection of the aptamer with sufficient binding properties for acetamiprid (ACE), a nicotine-like pesticide, and its use to design aptamer-modified magnetic beads bearing ferrocene co-immobilized label for capacitive detection of ACE. Taking advantages of the aptamer higher stability and binding affinity, the specific properties of magnetic beads and the redox properties of ferrocene moiety, the developed aptasensor showed promising analytical performances for ACE detection, using electrochemical capacitance spectroscopy, with a linear response ranging from 1 fM to 100 pM and a limit of detection of 0.94 fM (S/N = 3). Furthermore, it was successfully applied to detect ACE in fortified tomatoes samples, proving a promising approach for routine detection of pesticide in real agricultural samples.
在计算机上评估适体与靶标的相互作用有助于开发具有高特异性和亲和力的高效生物传感器。在这项工作中，我们通过计算机模拟，即结构相似性、分子对接和分子动力学，筛选出对烟碱类杀虫剂啶虫脒（ACE）具有足够结合特性的适体，并将其用于设计带有共固定二茂铁标记的适体修饰磁珠，用于电容式检测ACE。利用适体的高稳定性和结合亲和力、磁珠的特殊性质以及二茂铁部分的氧化还原性质，所开发的适体传感器通过电化学电容光谱法对ACE检测显示出良好的分析性能，线性响应范围为1 fM至100 pM，检测限为0.94 fM（S/N = 3）。此外，它已成功应用于检测加标番茄样品中的ACE，证明了其在实际农业样品中农药常规检测方面的应用前景。
