Interaction between anticancer drug bendamustine and calf thymus DNA with spectroscopy at the single-molecule level

Lina Yao; Zhenzhong Zuo; Ziyi Gong; Dan Sun; Xiaoqiang Feng; Kaige Wang

doi:10.1117/12.2654697

15 December 2022 Interaction between anticancer drug bendamustine and calf thymus DNA with spectroscopy at the single-molecule level

Lina Yao, Zhenzhong Zuo, Ziyi Gong, Dan Sun, Xiaoqiang Feng, Kaige Wang

Author Affiliations +

Proceedings Volume 12478, Thirteenth International Conference on Information Optics and Photonics (CIOP 2022); 1247823 (2022) https://doi.org/10.1117/12.2654697
Event: Thirteenth International Conference on Information Optics and Photonics (CIOP 2022), 2022, Xi'an, China

Abstract

Bendamustine (BENDA) has both alkylating and purinergic antitumor activities and remains effective in some cancers that have developed drug resistance, and there are few studies on the interaction mechanism of BENDA with DNA. In this paper, the interaction mechanism between BENDA and calf thymus DNA (ctDNA) was systematically investigated at the single molecular level, mainly by using ultraviolet-visible spectroscopy (UV-vis), Confocal Raman spectroscopy, and molecular docking. In UV-vis absorption spectroscopy experiments, the effects of ctDNA solution concentration, temperature, time and Na+ ions on the spectral production were investigated, respectively, and the experimental results showed that the interaction mode between BENDA and ctDNA was external bonding, i.e., groove binding and electrostatic binding. In addition, the disappearance and shift of the corresponding characteristic peaks in the Raman peaks indicate that BENDA interacts mainly with the phosphate backbone and base G of the ctDNA molecule, and causes some shifts in other bases and deoxyribose. Molecular docking simulations show that BENDA binds in the minor groove region of DNA and that the N and O atoms in the BENDA structure form intermolecular hydrogen bonds with base G, respectively. The results of this paper help to understand the mechanism of action of anti-cancer drugs and provide some reference for the development of new drugs with less toxic side effects.

Citation Download Citation

Lina Yao, Zhenzhong Zuo, Ziyi Gong, Dan Sun, Xiaoqiang Feng, and Kaige Wang "Interaction between anticancer drug bendamustine and calf thymus DNA with spectroscopy at the single-molecule level", Proc. SPIE 12478, Thirteenth International Conference on Information Optics and Photonics (CIOP 2022), 1247823 (15 December 2022); https://doi.org/10.1117/12.2654697

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