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Medical Oncology

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01.01.2024 | Original Paper

In silico study of polyphenols as potential inhibitors of MALT1 protein in non-Hodgkin lymphoma

verfasst von: Abas Sezer, Lejla Mahmutović, Betül Akçeşme

Erschienen in: Medical Oncology | Ausgabe 1/2024

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Abstract

Non-Hodgkin lymphoma (NHL) is one of the most common cancer types. Deregulated signaling pathways can trigger certain NHL subtypes, including Diffuse Large B-cell lymphoma. NF-ĸB signaling pathway, which is responsible for the proliferation, growth, and survival of cells, has an essential role in lymphoma development. Although different signals control NF-ĸB activation in various lymphoid malignancies, the characteristic one is the CARD11-BCL10-MALT1 (CBM) complex. The CBM complex is responsible for the initiation of adaptive immune response. Our study is focused on the molecular docking of ten polyphenols as potential CARD11-BCL10-MALT1 complex inhibitors, essentially through MALT1 inhibition. Molecular docking was performed by Auto Dock Tools and AutoDock Vina tool, while SwissADME was used for drug-likeness and absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis of the ligands. Out of 66 ligands that were used in this study, we selected and visualized five. Selection criteria were based on the binding energy score and position of the ligands on the used protein. 2D and 3D visualizations showed interactions of ligands with the protein. Five ligands are considered potential inhibitors of MALT1, thus affecting NF-ĸB signaling pathway. However, additional in vivo and in vitro studies are required to confirm their mechanism of inhibition.

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Titel: In silico study of polyphenols as potential inhibitors of MALT1 protein in non-Hodgkin lymphoma
verfasst von: Abas Sezer
Lejla Mahmutović
Betül Akçeşme
Publikationsdatum: 01.01.2024
Verlag: Springer US
Erschienen in: Medical Oncology / Ausgabe 1/2024
Print ISSN: 1357-0560
Elektronische ISSN: 1559-131X
DOI: https://doi.org/10.1007/s12032-023-02261-w

Springer Medizin

In silico study of polyphenols as potential inhibitors of MALT1 protein in non-Hodgkin lymphoma

Abstract

Neu im Fachgebiet Onkologie

Labor, CT-Anthropometrie zeigen Risiko für Pankreaskrebs

Viel pflanzliche Nahrung, seltener Prostata-Ca.-Progression

Alter verschlechtert Prognose bei Endometriumkarzinom

Darf man die Behandlung eines Neonazis ablehnen?

Update Onkologie

Springer Medizin

Abstract

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