ArticlePharmaceutics2021
Identification of Effective Anticancer G-Quadruplex-Targeting Chemotypes through the Exploration of a High Diversity Library of Natural Compounds.
Article in Pharmaceutics, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed, 23 citations in OpenAlex.
- Covalent Targeting and Thermostabilization of Oncogenic R280K and R273H Mutants p53 by Small Molecule RVJB59.ChemMedChem · 2026Article
- Selective Delivery of Anticancer Natural G-Quadruplex Ligands by the AT11 Aptamer for Gastric Cancer Treatment.Journal of medicinal chemistry · 2026Article
- Structure-Based Ligandability Exploration of a G‑Quadruplex-Forming Sequence from theACS medicinal chemistry letters · 2025Article
- Decoding the base flipping mechanism of the SET- and RING-associated (SRA) domain of the epigenetic UHRF1 protein.Nucleic acids research · 2025Article
- Locking the gates of immortality: targeting alternative lengthening of telomeres (ALT) pathways.Medical oncology (Northwood, London, England) · 2025Review
- Nanostructural Modulation of G-Quadruplex DNA in Neurodegeneration: Orotate Interaction Revealed Through Experimental and Computational Approaches.Journal of neurochemistry · 2025Article
- A CD Study of a Structure-Based Selection ofMolecules (Basel, Switzerland) · 2024Article
- Review
- Selective Recognition ofACS medicinal chemistry letters · 2024Article
- Selection of Natural Compounds with HMGA-Interfering Activities and Cancer Cell Cytotoxicity.ACS omega · 2023Article
- Exploring the Binding of Natural Compounds to Cancer-Related G-Quadruplex Structures: From 9,10-Dihydrophenanthrenes to Their Dimeric and Glucoside Derivatives.International journal of molecular sciences · 2023Article
- Selective Targeting of Cancer-Related G-Quadruplex Structures by the Natural Compound Dicentrine.International journal of molecular sciences · 2023Article
- Natural Flavonoid Derivatives Have Pan-Coronavirus Antiviral Activity.Microorganisms · 2023Article
- Natural-Product-Inspired Approaches for Cancer Diagnosis and Therapy.Pharmaceutics · 2022Article
- Affinity Chromatography-Based Assays for the Screening of Potential Ligands Selective for G-Quadruplex Structures.ChemistryOpen · 2022Article
- Study on the Potential Mechanism ofEvidence-based complementary and alternative medicine : eCAM · 2022Article
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Authors and funding
13 authors at 4 institutions in 1 country.
Funding
Abstract
In the quest for selective G-quadruplex (G4)-targeting chemotypes, natural compounds have been thus far poorly explored, though representing appealing candidates due to the high structural diversity of their scaffolds. In this regard, a unique high diversity in-house library composed of ca. one thousand individual natural products was investigated. The combination of molecular docking-based virtual screening and the G4-CPG experimental screening assay proved to be useful to quickly and effectively identify-out of many natural compounds-five hit binders of telomeric and oncogenic G4s, i.e., Bulbocapnine, Chelidonine, Ibogaine, Rotenone and Vomicine. Biophysical studies unambiguously demonstrated the selective interaction of these compounds with G4s compared to duplex DNA. The rationale behind the G4 selective recognition was suggested by molecular dynamics simulations. Indeed, the selected ligands proved to specifically interact with G4 structures due to peculiar interaction patterns, while they were unable to firmly bind to a DNA duplex. From biological assays, Chelidonine and Rotenone emerged as the most active compounds of the series against cancer cells, also showing good selectivity over normal cells. Notably, the anticancer activity correlated well with the ability of the two compounds to target telomeric G4s.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.