Kivrak, HilalEr, Omer FarukOzok, OmruyeCelik, SebahattinKivrak, Arif2025-05-102025-05-1020220254-05841879-331210.1016/j.matchemphys.2022.1259512-s2.0-85125474823https://doi.org/10.1016/j.matchemphys.2022.125951https://hdl.handle.net/20.500.14720/14355Kivrak, Arif/0000-0003-4770-2686; Kivrak, Hilal/0000-0001-8001-7854; Er, Omer Faruk/0000-0002-7179-726X4-(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.eninfo:eu-repo/semantics/closedAccessCancerCarbohydrate Antigen 125OvariumBenzothiopheneMolecular DockingSensorArticle281Q2Q1WOS:000767812500003