Spectroscopic, electrochemical, and some theoretical studies on the interactional of neuraminidase inhibitor zanamivir with double helix deoxyribonucleic acid

Şenel P., Cetinkaya A., KAYA S., ERDOĞAN T., Topal B., Gölcü A., ...More

JOURNAL OF MOLECULAR STRUCTURE, vol.1262, 2022 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 1262
  • Publication Date: 2022
  • Doi Number: 10.1016/j.molstruc.2022.133029
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, INSPEC
  • Keywords: Zanamivir, DNA, Molecular docking, Spectroscopy, Voltammetry, DNA, COMPLEX
  • Ankara University Affiliated: Yes


In some cases, instead of designing new molecules, investigating the potential of molecules with small chemical structures with biological activity to interact with double-stranded DNA is very important for the design of drug candidate molecules that can target new DNA. In our literature search, we did not encounter the mode of binding of Zanamivir (ZAN), an antiviral drug, with its double-stranded DNA structure. For this reason, the types of interactions between dsDNA and a ZAN were investigated experimentally and theoretically by comparative experimental and theoretical studies between different groups. This study covers spectroscopic studies such as absorption, fluorescence, and FT-IR, electrochemical properties such as cyclic voltammetry, and some physical properties such as viscosity and theoretical studies at certain pH values. As a result of our theoretical studies (according to the results obtained from the lowest energy insertion poses) supporting our experimental studies, we concluded that ZAN prefers the minor groove binding mechanism and settles into the double helix structure.(c) 2022 Elsevier B.V. All rights reserved.