دورية أكاديمية
In silico identification of a novel Cdc2-like kinase 2 (CLK2) inhibitor in triple negative breast cancer.
العنوان: | In silico identification of a novel Cdc2-like kinase 2 (CLK2) inhibitor in triple negative breast cancer. |
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المؤلفون: | Huang CC; Ph.D. Program for Cancer Molecular Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University and Academia Sinica, Taipei, Taiwan.; Division of General Surgery, Department of Surgery, Taipei Medical University Hospital, Taipei, Taiwan.; Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei, Taiwan., Hsu CM; Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei, Taiwan., Chao MW; School of Medicine, College of Medicine, National Sun Yat-sen University, Kaohsiung, Taiwan.; Institute of Biopharmaceutical Sciences, College of Medicine, National Sun Yat-sen University, Kaohsiung, Taiwan.; The Doctoral Program of Clinical and Experimental Medicine, College of Medicine, National Sun Yat-sen University, Kaohsiung, Taiwan., Hsu KC; Ph.D. Program for Cancer Molecular Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University and Academia Sinica, Taipei, Taiwan.; Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei, Taiwan.; Ph.D. Program in Drug Discovery and Development Industry, College of Pharmacy, Taipei Medical University, Taipei, Taiwan.; TMU Research Center of Cancer Translational Medicine, Taipei Medical University, Taipei, Taiwan.; TMU Research Center of Drug Discovery, Taipei Medical University, Taipei, Taiwan., Lin TE; Ph.D. Program for Cancer Molecular Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University and Academia Sinica, Taipei, Taiwan.; Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei, Taiwan., Yen SC; Warshel Institute for Computational Biology, The Chinese University of Hong Kong (Shenzhen), Shenzhen, Guangdong, China., Tu HJ; Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei, Taiwan., Pan SL; Ph.D. Program for Cancer Molecular Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University and Academia Sinica, Taipei, Taiwan.; Graduate Institute of Cancer Biology and Drug Discovery, College of Medical Science and Technology, Taipei Medical University, Taipei, Taiwan.; Ph.D. Program in Drug Discovery and Development Industry, College of Pharmacy, Taipei Medical University, Taipei, Taiwan.; TMU Research Center of Cancer Translational Medicine, Taipei Medical University, Taipei, Taiwan.; TMU Research Center of Drug Discovery, Taipei Medical University, Taipei, Taiwan. |
المصدر: | Protein science : a publication of the Protein Society [Protein Sci] 2024 Jun; Vol. 33 (6), pp. e5004. |
نوع المنشور: | Journal Article; Research Support, Non-U.S. Gov't |
اللغة: | English |
بيانات الدورية: | Publisher: Cold Spring Harbor Laboratory Press Country of Publication: United States NLM ID: 9211750 Publication Model: Print Cited Medium: Internet ISSN: 1469-896X (Electronic) Linking ISSN: 09618368 NLM ISO Abbreviation: Protein Sci Subsets: MEDLINE |
أسماء مطبوعة: | Publication: 2001- : Woodbury, NY : Cold Spring Harbor Laboratory Press Original Publication: New York, N.Y. : Cambridge University Press, c1992- |
مواضيع طبية MeSH: | Triple Negative Breast Neoplasms*/drug therapy , Triple Negative Breast Neoplasms*/metabolism , Protein Kinase Inhibitors*/pharmacology , Protein Kinase Inhibitors*/chemistry , Protein Serine-Threonine Kinases*/antagonists & inhibitors , Protein Serine-Threonine Kinases*/metabolism , Protein Serine-Threonine Kinases*/chemistry , Protein-Tyrosine Kinases*/antagonists & inhibitors , Protein-Tyrosine Kinases*/metabolism , Protein-Tyrosine Kinases*/chemistry , Protein-Tyrosine Kinases*/genetics, Humans ; Female ; Cell Line, Tumor ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/chemistry ; Apoptosis/drug effects ; Molecular Docking Simulation ; Cell Proliferation/drug effects |
مستخلص: | Dysregulation of RNA splicing processes is intricately linked to tumorigenesis in various cancers, especially breast cancer. Cdc2-like kinase 2 (CLK2), an oncogenic RNA-splicing kinase pivotal in breast cancer, plays a significant role, particularly in the context of triple-negative breast cancer (TNBC), a subtype marked by substantial medical challenges due to its low survival rates. In this study, we employed a structure-based virtual screening (SBVS) method to identify potential CLK2 inhibitors with novel chemical structures for treating TNBC. Compound 670551 emerged as a novel CLK2 inhibitor with a 50% inhibitory concentration (IC (© 2024 The Authors. Protein Science published by Wiley Periodicals LLC on behalf of The Protein Society.) |
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معلومات مُعتمدة: | MOST 112-2320-B-038-052 Ministry of Science and Technology; AS-BRPT-112-11 Academia Sinica; TMU Research Center of Cancer Translational Medicine from the Higher Education Sprout Project by the Ministry of Education |
فهرسة مساهمة: | Keywords: CLK2; drug discovery; kinase inhibitor; structure‐based virtual screening; triple‐negative breast cancer |
المشرفين على المادة: | EC 2.7.1.- (Clk dual-specificity kinases) 0 (Protein Kinase Inhibitors) EC 2.7.11.1 (Protein Serine-Threonine Kinases) EC 2.7.10.1 (Protein-Tyrosine Kinases) 0 (Antineoplastic Agents) |
تواريخ الأحداث: | Date Created: 20240509 Date Completed: 20240509 Latest Revision: 20240626 |
رمز التحديث: | 20240627 |
مُعرف محوري في PubMed: | PMC11081522 |
DOI: | 10.1002/pro.5004 |
PMID: | 38723164 |
قاعدة البيانات: | MEDLINE |
تدمد: | 1469-896X |
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DOI: | 10.1002/pro.5004 |