Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies

Tankyrase enzymes (TNKS), a core part of the canonical Wnt pathway, are a promising target in the search for potential anti-cancer agents. Although several hundreds of the TNKS inhibitors are currently known, identification of their novel chemotypes attracts considerable interest. In this study, the...

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Veröffentlicht in:Molecules
Hauptverfasser: Berishvili, Vladimir P., Kuimov, Alexander N., Voronkov, Andrew E., Radchenko, Eugene V., Kumar, Pradeep, Choonara, Yahya E., Pillay, Viness, Kamal, Ahmed, Palyulin, Vladimir A.
Format: Artigo
Sprache:Inglês
Veröffentlicht: MDPI 2020
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Article
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7397142/
https://ncbi.nlm.nih.gov/pubmed/32664504
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25143171
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