9,10-Bis[(4-(2-hydroxyethyl)piperazine-1-yl)prop2-yne-1-yl]anthracene:\nG‑Quadruplex Selectivity and Anticancer Activity

G-Quadruplexes (G4s) are appealing targets for anticancer\ntherapy\nbecause of their location in the genome and their role in regulating\nphysiological and pathological processes. In this article, we report\nthe characterization of the molecular interaction and selectivity\nof OAF89, a 9,10-disubstituted G4-binding anthracene derivative, with\ndifferent DNA sequences. Advanced analytical methods, including mass\nspectrometry and nuclear magnetic resonance, were used to conduct\nthe investigation, together with the use of <i>in silico</i> docking and molecular dynamics. Eventually, the compound was tested <i>in vitro</i> to assess its bioactivity against lung cancer cell\nlines.

Publication Details

Journal
Figshare
Published
2024-08-21
DOI
https://doi.org/10.1021/acsmedchemlett.4c00340.s001
Primary Topic
DNA and Nucleic Acid Chemistry
Type
article
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article

9,10-Bis[(4-(2-hydroxyethyl)piperazine-1-yl)prop2-yne-1-yl]anthracene:\nG‑Quadruplex Selectivity and Anticancer Activity

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DNA and Nucleic Acid Chemistry
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9,10-Bis[(4-(2-hydroxyethyl)piperazine-1-yl)prop2-yne-1-yl]anthracene:\nG‑Quadruplex Selectivity and Anticancer Activity

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Abstract

G-Quadruplexes (G4s) are appealing targets for anticancer\ntherapy\nbecause of their location in the genome and their role in regulating\nphysiological and pathological processes. In this article, we report\nthe characterization of the molecular interaction and selectivity\nof OAF89, a 9,10-disubstituted G4-binding anthracene derivative, with\ndifferent DNA sequences. Advanced analytical methods, including mass\nspectrometry and nuclear magnetic resonance, were used to conduct\nthe investigation, together with the use of <i>in silico</i> docking and molecular dynamics. Eventually, the compound was tested <i>in vitro</i> to assess its bioactivity against lung cancer cell\nlines.

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9,10-Bis[(4-(2-hydroxyethyl)piperazine-1-yl)prop2-yne-1-yl]anthracene:\nG‑Quadruplex Selectivity and Anticancer Activity · Figshare (2024) | TGRS Research Map | TGRS