ArticleMolecules (Basel, Switzerland)2019
Modeling the Antileukemia Activity of Ellipticine-Related Compounds: QSAR and Molecular Docking Study.
Article in Molecules (Basel, Switzerland), 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
6 citing papers in PubMed, 21 citations in OpenAlex.
- Ensemble Docking, MD, and MM/PBSA Identify Flavonoids as Putative Modulators of EFNB2/B3-Nipah Virus G Interaction.International journal of molecular sciences · 2026Article
- Molecular Modeling of Vasodilatory Activity: Unveiling Novel Candidates Through Density Functional Theory, QSAR, and Molecular Dynamics.International journal of molecular sciences · 2024Article
- Lysosomal Exocytosis of Olivacine on the Way to Explain Drug Resistance in Cancer Cells.International journal of molecular sciences · 2022Article
- Synthesis, In Vitro, and In Silico Analysis of the Antioxidative Activity of Dapsone Imine Derivatives.Molecules (Basel, Switzerland) · 2021Article
- In Silico Screening of the DrugBank Database to Search for Possible Drugs against SARS-CoV-2.Molecules (Basel, Switzerland) · 2021Article
- Practical and Computational Studies of Bivalence Metal Complexes of Sulfaclozine and Biological Studies.Frontiers in chemistry · 2021Article
Corrections and comments
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Authors and funding
5 authors at 4 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The antileukemia cancer activity of organic compounds analogous to ellipticine representes a critical endpoint in the understanding of this dramatic disease. A molecular modeling simulation on a dataset of 23 compounds, all of which comply with Lipinski's rules and have a structure analogous to ellipticine, was performed using the quantitative structure activity relationship (QSAR) technique, followed by a detailed docking study on three different proteins significantly involved in this disease (PDB IDs: SYK, PI3K and BTK). As a result, a model with only four descriptors (HOMO, softness, AC1RABAMBID, and TS1KFABMID) was found to be robust enough for prediction of the antileukemia activity of the compounds studied in this work, with an R
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Registered trials
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