Studying the Interaction between Bendamustine and DNA Molecule with SERS Based on AuNPs/ZnCl2/NpAA Solid-State Substrate
Bendamustine (BENDA) is a bifunctional alkylating agent with alkylating and purinergic antitumor activity, which exerts its anticancer effects by direct binding to DNA, but the detailed mechanism of BENDA-DNA interaction is poorly understood. In this paper, the interaction properties of the anticancer drug BENDA with calf thymus DNA (ctDNA) were systematically investigated based on surface-enhanced Raman spectroscopy (SERS) technique mainly using a novel homemade AuNPs/ZnCl2/NpAA (NpAA: nano porous anodic alumina) solid-state substrate and combined with ultraviolet-visible spectroscopy and molecular docking simulation to reveal the mechanism of their interactions. We experimentally compared and studied the SERS spectra of ctDNA, BENDA, and BENDA-ctDNA complexes with different molar concentrations (1:1, 2:1, 3:1), and summarized their important characteristic peak positions, their peak position differences, and hyperchromic/hypochromic effects. The results showed that the binding modes include covalent binding and hydrogen bonding, and the binding site of BENDA to DNA molecules is mainly the N7 atom of G base. The results of this study help to understand and elucidate the mechanism of BENDA at the single-molecule level, and provide guidance for the further development of effective new drugs with low toxicity and side effects.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2023 |
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| Erschienen: |
2023 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:24 |
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| Enthalten in: |
International journal of molecular sciences - 24(2023), 17 vom: 31. Aug. |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Yao, Lina [VerfasserIn] |
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| Links: |
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| Themen: |
7440-57-5 |
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| Anmerkungen: |
Date Completed 11.09.2023 Date Revised 11.09.2023 published: Electronic Citation Status MEDLINE |
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| doi: |
10.3390/ijms241713517 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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NLM361838131 |
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| 500 | |a published: Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a Bendamustine (BENDA) is a bifunctional alkylating agent with alkylating and purinergic antitumor activity, which exerts its anticancer effects by direct binding to DNA, but the detailed mechanism of BENDA-DNA interaction is poorly understood. In this paper, the interaction properties of the anticancer drug BENDA with calf thymus DNA (ctDNA) were systematically investigated based on surface-enhanced Raman spectroscopy (SERS) technique mainly using a novel homemade AuNPs/ZnCl2/NpAA (NpAA: nano porous anodic alumina) solid-state substrate and combined with ultraviolet-visible spectroscopy and molecular docking simulation to reveal the mechanism of their interactions. We experimentally compared and studied the SERS spectra of ctDNA, BENDA, and BENDA-ctDNA complexes with different molar concentrations (1:1, 2:1, 3:1), and summarized their important characteristic peak positions, their peak position differences, and hyperchromic/hypochromic effects. The results showed that the binding modes include covalent binding and hydrogen bonding, and the binding site of BENDA to DNA molecules is mainly the N7 atom of G base. The results of this study help to understand and elucidate the mechanism of BENDA at the single-molecule level, and provide guidance for the further development of effective new drugs with low toxicity and side effects | ||
| 650 | 4 | |a Journal Article | |
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| 650 | 4 | |a drug–DNA interaction | |
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| 650 | 4 | |a surface-enhanced Raman spectroscopy | |
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| 700 | 1 | |a Li, Yanjie |e verfasserin |4 aut | |
| 700 | 1 | |a Zuo, Zhenzhong |e verfasserin |4 aut | |
| 700 | 1 | |a Gong, Ziyi |e verfasserin |4 aut | |
| 700 | 1 | |a Zhu, Jie |e verfasserin |4 aut | |
| 700 | 1 | |a Feng, Xiaoqiang |e verfasserin |4 aut | |
| 700 | 1 | |a Sun, Dan |e verfasserin |4 aut | |
| 700 | 1 | |a Wang, Kaige |e verfasserin |4 aut | |
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