Molecular binding and electrochemical detection synergy: A study on doxorubicin using nanodiamond-glassy carbon electrodes

ERK N., KURTAY G., Bouali W., Genc A. A.

MICROCHEMICAL JOURNAL, 2025 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Publication Date: 2025
  • Doi Number: 10.1016/j.microc.2025.112907
  • Journal Name: MICROCHEMICAL JOURNAL
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, BIOSIS, CAB Abstracts, Chemical Abstracts Core, Chimica, Food Science & Technology Abstracts, Index Islamicus, Veterinary Science Database
  • Hacettepe University Affiliated: Yes

Abstract

The electrochemical detection of doxorubicin (DOX), a key anticancer drug, is crucial for advancing cancer therapies. This study evaluates a nanodiamond-modified glassy carbon electrode (ND/GCE) for enhanced DOX detection. Under optimized conditions, the ND/GCE exhibited a broad linear detection range of 0.02-6.7 mu M using differential pulse voltammetry (DPV), with a detection limit of 4.5 nM. The sensor demonstrated excellent repeatability, reproducibility, and selectivity against common interferences. It was successfully applied to pharmaceutical formulations, human plasma, and urine samples, achieving satisfactory recovery rates. Density Functional Theory (DFT) analysis was conducted to investigate the molecular interactions of DOX and its ND conjugate. Molecular docking studies with Aurora Kinase A (AURKA) and DNA revealed enhanced binding affinities for the DOX:ND conjugate (-12.6 and-11.3 kcal/mol) compared to DOX alone (-8.4 and-8.6 kcal/ mol), suggesting improved targeting efficiency. These findings highlight the potential of the ND/GCE sensor for precise DOX detection and provide valuable insights into its interaction with cancer-related biomolecules.