ArticleMolecules (Basel, Switzerland)2014
Structure-based virtual screening of novel natural alkaloid derivatives as potential binders of h-telo and c-myc DNA G-quadruplex conformations.
Article in Molecules (Basel, Switzerland), 2014. 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, 29 citations in OpenAlex.
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- Kanamycin and G-Quadruplexes: An Exploration of Binding Interactions.Molecules (Basel, Switzerland) · 2024Article
- Crosstalk between G-quadruplex and ROS.Cell death & disease · 2023Review
- Targeting RNA G-quadruplex with repurposed drugs blocks SARS-CoV-2 entry.PLoS pathogens · 2023Article
- Chromene Derivatives as Selective TERRA G-Quadruplex RNA Binders with Antiproliferative Properties.Pharmaceuticals (Basel, Switzerland) · 2022Article
- A Comprehensive Review about the Molecular Structure of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2): Insights into Natural Products against COVID-19.Pharmaceutics · 2021Review
- Synthesis and in Vitro Evaluation of Novel 5-Nitroindole Derivatives as c-Myc G-Quadruplex Binders with Anticancer Activity.ChemMedChem · 2021Article
- Current Updates on Naturally Occurring Compounds Recognizing SARS-CoV-2 Druggable Targets.Molecules (Basel, Switzerland) · 2021Review
- Biological properties and clinical applications of berberine.Frontiers of medicine · 2020Review
- Investigating the Anticancer Activity of Isatin/Dihydropyrazole Hybrids.ACS medicinal chemistry letters · 2019Article
- G-quadruplex virtual drug screening: A review.Biochimie · 2018Review
- Natural Alkaloids and Heterocycles as G-Quadruplex Ligands and Potential Anticancer Agents.Molecules (Basel, Switzerland) · 2018Review
- In Silico Screening and Binding Characterization of Small Molecules toward a G-Quadruplex Structure Formed in the Promoter Region ofACS omega · 2017Article
- Ligand binding to telomeric G-quadruplex DNA investigated by funnel-metadynamics simulations.Proceedings of the National Academy of Sciences of the United States of America · 2017Article
- Berbamine inhibited the growth of prostate cancer cells in vivo and in vitro via triggering intrinsic pathway of apoptosis.Prostate cancer and prostatic diseases · 2016Article
Corrections and comments
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Authors and funding
9 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Several ligands can bind to the non-canonical G-quadruplex DNA structures thereby stabilizing them. These molecules can act as effective anticancer agents by stabilizing the telomeric regions of DNA or by regulating oncogene expression. In order to better interact with the quartets of G-quadruplex structures, G-binders are generally characterized by a large aromatic core involved in π-π stacking. Some natural flexible cyclic molecules from Traditional Chinese Medicine have shown high binding affinity with G-quadruplex, such as berbamine and many other alkaloids. Using the structural information available on G-quadruplex structures, we performed a high throughput in silico screening of commercially available alkaloid derivative databases by means of a structure-based approach based on docking and molecular dynamics simulations against the human telomeric sequence d[AG3(T2AG3)3] and the c-myc promoter structure. We identified 69 best hits reporting an improved theoretical binding affinity with respect to the active set. Among them, a berberine derivative, already known to remarkably inhibit telomerase activity, was related to a better theoretical affinity versus c-myc.
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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.