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Functional evaluation of novel chromon derivative compounds for recognition of G-quadruplex structure.
- Source :
-
Journal of Molecular Structure . Jun2024, Vol. 1306, pN.PAG-N.PAG. 1p. - Publication Year :
- 2024
-
Abstract
- • Promising G-quadruplex binders: chroman derivatives ligands & their BF2-complexes. • These compounds stabilize parallel and mixed hybrid G-quadruplex structures. • In vitro and cellular studies: biophysical analyses demonstrate binding affinity in both contexts. • Molecular docking: computational study supports binding of chroman complexes to G-quadruplex. • Potential fluorescent ligands: these compounds offer new options for G-quadruplex targeting ligands. Currently, G-quadruplex structure targeting strategies are considered as a promising anticancer approach. The purpose of this research is to expand the options for G-quadruplex targeting ligands, particularly emphasizing fluorescent ligands. Our study contributes to the field by providing additional choices for G-quadruplex binders with a notable focus on selectivity towards G-quadruplex topology over duplex DNA. In the search of selective and potent G-quadruplex binders, here we discuss an analysis of a few chroman derivatives ligands named A and C and their respective borondifluoride complexes B and D as a quadruplex targeting compounds which found to stabilize G-quadruplex structure. To investigate the binding characteristics of these molecules with G-quadruplex vs. duplex selectivity, In vitro biophysical studies were performed by steady-state fluorescence, UV–visible titration, fluorescent TO displacement assay, CD thermal melting, circular dichroism spectroscopy, and cellular imaging by employing both telomeric and PRCC G-quadruplex forming sequences. Our investigation shows that these chromam ligands and their complexes are able to selectively bind and stabilize parallel and mixed hybrid topology of G-quadruplex both In vitro and in cellular conditions. A molecular docking and MD simulation study also suggests the binding of these compounds with G-quadruplex conformation. Collectively our study suggests these chroman complexes for the first time as a potentially useful fluorescent chemical product for G-quadruplex specific ligands and expands an option for G-quadruplex targeting ligands. [Display omitted] [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00222860
- Volume :
- 1306
- Database :
- Academic Search Index
- Journal :
- Journal of Molecular Structure
- Publication Type :
- Academic Journal
- Accession number :
- 176440076
- Full Text :
- https://doi.org/10.1016/j.molstruc.2024.137890