ArticleScientific reports2018
Identification of new inhibitors against human Great wall kinase using in silico approaches.
Article in Scientific reports, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 32 citations in OpenAlex.
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- Nanoparticles in Cancer Diagnosis and Treatment.Materials (Basel, Switzerland) · 2023Review
- SILAC kinase screen identifies potential MASTL substrates.Scientific reports · 2022Article
- Therapeutic natural compounds Enzastaurin and Palbociclib inhibit MASTL kinase activity preventing breast cancer cell proliferation.Medical oncology (Northwood, London, England) · 2022Article
- Discovery of a Potent Candidate for RET-Specific Non-Small-Cell Lung Cancer-A Combined In Silico and In Vitro Strategy.Pharmaceutics · 2021Article
- Article
- Discovery and Characterization of a Novel MASTL Inhibitor MKI-2 Targeting MASTL-PP2A in Breast Cancer Cells and Oocytes.Pharmaceuticals (Basel, Switzerland) · 2021Article
- Piperazine-substituted derivatives of favipiravir for Nipah virus inhibition: What do in silico studies unravel?SN applied sciences · 2021Article
- MASTL: A novel therapeutic target for Cancer Malignancy.Cancer medicine · 2020Review
- Review
- MASTL promotes cell contractility and motility through kinase-independent signaling.The Journal of cell biology · 2020Article
- Review
- MKI-1, a Novel Small-Molecule Inhibitor of MASTL, Exerts Antitumor and Radiosensitizer Activities Through PP2A Activation in Breast Cancer.Frontiers in oncology · 2020Article
- Antibacterial Activity and Molecular Docking Studies of a Selected Series of Hydroxy-3-arylcoumarins.Molecules (Basel, Switzerland) · 2019Article
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Authors and funding
5 authors at 3 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Microtubule associated serine/threonine kinase (MASTL) is an important Ser/Thr kinase belonging to the family of AGC kinases. It is the human orthologue of Greatwall kinase (Gwl) that plays a significant role in mitotic progression and cell cycle regulation. Upregulation of MASTL in various cancers and its association with poor patient survival establishes it as an important drug target in cancer therapy. Nevertheless, the target remains unexplored with the paucity of studies focused on identification of inhibitors against MASTL, which emphasizes the relevance of our present study. We explored various drug databases and performed virtual screening of compounds from both natural and synthetic sources. A list of promising compounds displaying high binding characteristics towards MASTL protein is reported. Among the natural compounds, we found a 6-hydroxynaphthalene derivative ZINC85597499 to display best binding energy value of -9.32 kcal/mol. While among synthetic compounds, a thieno-pyrimidinone based tricyclic derivative ZINC53845290 compound exhibited best binding affinity of value -7.85 kcal/mol. MASTL interactions with these two compounds were further explored using molecular dynamics simulations. Altogether, this study identifies potential inhibitors of human Gwl kinase from both natural and synthetic origin and calls for studying these compounds as potential drugs for cancer therapy.
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