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Synthesis and characterization of 4-(2-(4-methoxyphenyl)benzo[b]thiophen-3-yl)benzaldehyde for carbohydrate antigen 125 electrochemical detection and molecular docking modeling
Materials Chemistry and Physics ( IF 4.3 ) Pub Date : 2022-02-28 , DOI: 10.1016/j.matchemphys.2022.125951
Hilal Kivrak 1, 2 , Omer Faruk Er 3 , Omruye Ozok 4 , Sebahattin Celik 5 , Arif Kivrak 4
Affiliation  

4-(2-(4-methoxyphenyl)benzo[b]thiophen-3-yl)benzaldehyde (MPBB)-based chemical antibody is developed to detect CA125 (MUC-16) level more effectively via electrochemical methods. Novel MPBB is synthesized by using Pd-catalyst coupling reactions and electrophilic cyclization reactions. New benzothiophene structure is dispersed in Nafion solution and CA125 antigen was incubated on this electrode. Optimum conditions are found as 3 μL MPBB loading, 30 ng/mL CA125 antigen concentration, and 90 min incubation time. Two distinct linear ranges of the electrode prepared at optimum conditions are determined by DPV as 5–50 ng/ml and 100–500 ng/ml. Limit of detection and limit of quantification values have been obtained as 0.03385 ng/mL and 0.10155 ng/mL, respectively. Interference and artificial serum results reveal that this electrode is a promising electrode for CA125 antigen determination for ovarian cancer. Binding energy is investigated by employing a molecular docking modeling study between CA125 antigen and MPBB. Electrochemical results and molecular docking results revealed that the MPBB is a promising alternative to marketed CA125 immunoassays.



中文翻译:

用于碳水化合物抗原125电化学检测和分子对接建模的4-(2-(4-甲氧基苯基)苯并[b]噻吩-3-基)苯甲醛的合成与表征

开发了基于4-(2-(4-methoxyphenyl)benzo[ b ]thiophen-3-yl)benzaldehyde ( MPBB ) 的化学抗体,以通过电化学方法更有效地检测 CA125 (MUC-16) 水平。新型MPBB通过使用Pd-催化剂偶联反应和亲电环化反应合成。新的苯并噻吩结构分散在 Nafion 溶液中,CA125 抗原在该电极上孵育。最佳条件为 3 μL MPBB 上样量、30 ng/mL CA125 抗原浓度和 90 分钟孵育时间。在最佳条件下制备的电极的两个不同线性范围由 DPV 确定为 5–50 ng/ml 和 100–500 ng/ml。检测限和定量限分别为 0.03385 ng/mL 和 0.10155 ng/mL。干扰和人工血清结果表明,该电极是用于卵巢癌CA125抗原测定的有前景的电极。通过采用 CA125 抗原和MPBB之间的分子对接模型研究来研究结合能. 电化学结果和分子对接结果表明,MPBB是市场上 CA125 免疫测定的有希望的替代品。

更新日期:2022-02-28
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