ArticleMolecules (Basel, Switzerland)2013
Identification of new natural DNA G-quadruplex binders selected by a structure-based virtual screening approach.
Article in Molecules (Basel, Switzerland), 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 27 citations in OpenAlex.
- Post-Column Guanosine Addition as a Screening Tool in the Search for Effective G-Quadruplex Binders-A Case Study ofInternational journal of molecular sciences · 2025Article
- Kanamycin and G-Quadruplexes: An Exploration of Binding Interactions.Molecules (Basel, Switzerland) · 2024Article
- Bioactive nutraceuticals as G4 stabilizers: potential cancer prevention and therapy-a critical review.Naunyn-Schmiedeberg's archives of pharmacology · 2024Review
- Article
- Combining Electrospray Mass Spectrometry (ESI-MS) and Computational Techniques in the Assessment of G-Quadruplex Ligands: A Hybrid Approach to Optimize Hit Discovery.Journal of medicinal chemistry · 2021Article
- Review
- Multicharged Phthalocyanines as Selective Ligands for G-Quadruplex DNA Structures.Molecules (Basel, Switzerland) · 2019Article
- Beneficial Role of Phytochemicals on Oxidative Stress and Age-Related Diseases.BioMed research international · 2019Review
- Molecular docking based screening of triterpenoids as potential G-quadruplex stabilizing ligands with anti-cancer activity.Bioinformation · 2017Article
- In silico identification of novel ligands for G-quadruplex in the c-MYC promoter.Journal of computer-aided molecular design · 2015Article
- Structure-based virtual screening of novel natural alkaloid derivatives as potential binders of h-telo and c-myc DNA G-quadruplex conformations.Molecules (Basel, Switzerland) · 2014Article
- Beyond Telomerase: Telomere Instability as a Novel Target for Cancer Therapy.Journal of molecular and genetic medicine : an international journal of biomedical research · 2013Article
- Revolutionizing antiretroviral therapy for human immunodeficiency virus/AIDS: A computational approach using molecular docking, virtual screening, and 3D pharmacophore building to address therapeutic failure and propose highly effective candidates.International journal of immunopathology and pharmacologyArticle
Corrections and comments
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Authors and funding
5 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The G-quadruplex DNA structures are mainly present at the terminal portion of telomeres and can be stabilized by ligands able to recognize them in a specific manner. The recognition process is usually related to the inhibition of the enzyme telomerase indirectly involved and over-expressed in a high percentage of human tumors. There are several ligands, characterized by different chemical structures, already reported in the literature for their ability to bind and stabilize the G-quadruplex structures. Using the structural and biological information available on these structures; we performed a high throughput in silico screening of commercially natural compounds databases by means of a structure-based approach followed by docking experiments against the human telomeric sequence d[AG₃(T₂AG₃)₃]. We identified 12 best hits characterized by different chemical scaffolds and conformational and physicochemical properties. All of them were associated to an improved theoretical binding affinity with respect to that of known selective G-binders. Among these hits there is a chalcone derivative; structurally very similar to the polyphenol butein; known to remarkably inhibit the telomerase activity.
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