Synthesis and characterization of 4-(2-(4-methoxyphenyl)benzo[b] thiophen-3-yl)benzaldehyde for carbohydrate antigen 125 electrochemical detection and molecular docking modeling


DEMİR KIVRAK H., Er O. F. , Ozok O., Çelik S., KIVRAK A.

MATERIALS CHEMISTRY AND PHYSICS, vol.281, 2022 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 281
  • Publication Date: 2022
  • Doi Number: 10.1016/j.matchemphys.2022.125951
  • Journal Name: MATERIALS CHEMISTRY AND PHYSICS
  • Journal Indexes: Science Citation Index Expanded, Scopus, Academic Search Premier, Aerospace Database, Chimica, Communication Abstracts, Compendex, INSPEC, Metadex, Civil Engineering Abstracts
  • Keywords: Cancer, Carbohydrate antigen 125, Ovarium, Benzothiophene, Molecular docking, Sensor, TUMOR-MARKERS, GRAPHENE OXIDE, OVARIAN-CANCER, NANOPARTICLES, IMMUNOASSAY, ELECTRODE

Abstract

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 mu L 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.