In Silico Design of a Solution-Gated Graphene Transistor Sensor for the Efficient Detection of Guanine Quadruplexes DOI
Aurianne Rainot, Luisa D’Anna, Alessio Terenzi

et al.

The Journal of Physical Chemistry Letters, Journal Year: 2024, Volume and Issue: 15(43), P. 10881 - 10887

Published: Oct. 23, 2024

Guanine quadruplexes (G4s) are nucleic acid structures present in diverse regions of the genome, such as telomeres and transcription initiators. Recently, different biological roles G4s have been evidenced well their role biomarkers for tumors or viral infections. However, fast efficient detection complex matrices remains elusive. In this contribution, by using long-scale molecular dynamics simulations, we propose design a biosensor based on organic field-effect transistors recognizing G4s. particular, show that interaction with is translated into change charge density profile, which correlates electrical transduction signal, thus allowing structure. We also provide rules thumb optimization device more generally integration computationally driven approaches.

Language: Английский

The Rise of Bacterial G-Quadruplexes in Current Antimicrobial Discovery DOI Creative Commons
Stefano Ciaco, Rossella Aronne, Martina Fiabane

et al.

ACS Omega, Journal Year: 2024, Volume and Issue: 9(23), P. 24163 - 24180

Published: May 30, 2024

Antimicrobial resistance (AMR) is a silent critical issue that poses several challenges to health systems. While the discovery of novel antibiotics currently stalled and prevalently focused on chemical variations scaffolds available drugs, targets innovative strategies are urgently needed face this global threat. In context, bacterial G-quadruplexes (G4s) emerging as timely profitable for design development antimicrobial agents. Indeed, they expressed in regulatory regions genomes, their modulation has been observed provide effects with translational perspectives context AMR. work, we review current knowledge G4s well by small molecules, including tools techniques suitable these investigations. Finally, critically analyze needs future directions field, focus molecules modulators endowed remarkable drug-likeness.

Language: Английский

Citations

7
Metal centers and aromatic moieties in Schiff base complexes: impact on G-quadruplex stabilization and oncogene downregulation DOI Creative Commons
Aurane Froux, Luisa D’Anna, Aurianne Rainot

et al.

Inorganic Chemistry Frontiers, Journal Year: 2024, Volume and Issue: 11(17), P. 5725 - 5740

Published: Jan. 1, 2024

We present the synthesis and characterization of novel square planar transition metal complexes Schiff base ligands, which act as guanine quadruplex binders stabilizers.

Language: Английский

Citations

7
Resolving the Structure of a Guanine Quadruplex in TMPRSS2 Messenger RNA by Circular Dichroism and Molecular Modeling DOI Creative Commons
Luisa D’Anna, Aurane Froux, Aurianne Rainot

et al.

bioRxiv (Cold Spring Harbor Laboratory), Journal Year: 2024, Volume and Issue: unknown

Published: July 30, 2024

Abstract The presence of a guanine quadruplex in the opening reading frame messenger RNA coding for transmembrane serine protease 2 (TMPRSS2) may pave way to original anticancer and host-oriented antiviral strategy. Indeed, TMPRSS2 addition being overexpressed different cancer types, is also related infection respiratory viruses, including SARS-CoV-2, by promoting cellular viral membrane fusion through its proteolytic activity. design selective ligands targeting requires detailed knowledge, at atomic level, structure. Therefore, we have used an experimental-computational protocol predict first resolved structure parallel secondary TMPRSS2, which shows rigid core flanked flexible loop. This represents scale present RNA.

Language: Английский

Citations

0
In Silico Design of a Solution-Gated Graphene Transistor Sensor for the Efficient Detection of Guanine Quadruplexes DOI
Aurianne Rainot, Luisa D’Anna, Alessio Terenzi

et al.

The Journal of Physical Chemistry Letters, Journal Year: 2024, Volume and Issue: 15(43), P. 10881 - 10887

Published: Oct. 23, 2024

Guanine quadruplexes (G4s) are nucleic acid structures present in diverse regions of the genome, such as telomeres and transcription initiators. Recently, different biological roles G4s have been evidenced well their role biomarkers for tumors or viral infections. However, fast efficient detection complex matrices remains elusive. In this contribution, by using long-scale molecular dynamics simulations, we propose design a biosensor based on organic field-effect transistors recognizing G4s. particular, show that interaction with is translated into change charge density profile, which correlates electrical transduction signal, thus allowing structure. We also provide rules thumb optimization device more generally integration computationally driven approaches.

Language: Английский

Citations

0