Discovery and Design of Tricyclic Scaffolds as Protein Kinase CK2 (CK2) Inhibitors through a Combination of Shape-Based Virtual Screening and Structure-Based Molecular Modification
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Fang Liu | Xiaoli Xu | Xiaowen Wu | You Zhou | Jianmin Jia | Zhengyu Jiang | Xiaojin Zhang | Qidong You | Jingjie Huang | Xiaoke Guo | Haopeng Sun | Taotao Feng | Hongxi Chu | Shenglie Zhang | Zongliang Liu | Q. You | Zhengyu Jiang | Zongliang Liu | Haopeng Sun | Xiaoli Xu | Xiaojin Zhang | Xiaoke Guo | Jianmin Jia | Shenglie Zhang | Taotao Feng | You Zhou | Fang Liu | Hongxi Chu | Jingjie Huang | Xiaowen Wu
[1] Adam Siddiqui-Jain,et al. Protein kinase CK2 modulates IL-6 expression in inflammatory breast cancer. , 2011, Biochemical and biophysical research communications.
[2] J. Bain,et al. The selectivity of inhibitors of protein kinase CK2: an update. , 2008, The Biochemical journal.
[3] Paolo Bonvini,et al. Identification of ellagic acid as potent inhibitor of protein kinase CK2: a successful example of a virtual screening application. , 2006, Journal of medicinal chemistry.
[4] C. Perretta,et al. Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2. , 2007, Bioorganic & medicinal chemistry letters.
[5] J. Cheong,et al. Protein Kinase CK2α as an Unfavorable Prognostic Marker and Novel Therapeutic Target in Acute Myeloid Leukemia , 2007, Clinical Cancer Research.
[6] Barbara Guerra,et al. Protein kinase CK2 in human diseases. , 2008, Current medicinal chemistry.
[7] James S. Duncan,et al. Too much of a good thing: the role of protein kinase CK2 in tumorigenesis and prospects for therapeutic inhibition of CK2. , 2008, Biochimica et biophysica acta.
[8] J. Cheong,et al. Protein kinase CK2alpha as an unfavorable prognostic marker and novel therapeutic target in acute myeloid leukemia. , 2007, Clinical cancer research : an official journal of the American Association for Cancer Research.
[9] O. Issinger,et al. The catalytic subunit of human protein kinase CK2 structurally deviates from its maize homologue in complex with the nucleotide competitive inhibitor emodin. , 2008, Journal of molecular biology.
[10] R. Cardiff,et al. Protein kinase CK2 in mammary gland tumorigenesis , 2001, Oncogene.
[11] J. Depierre. Mammalian Toxicity of Organic Compounds of Bromine and Iodine , 2003 .
[12] Jürgen Bajorath,et al. Design and Evaluation of a Molecular Fingerprint Involving the Transformation of Property Descriptor Values into a Binary Classification Scheme , 2003, J. Chem. Inf. Comput. Sci..
[13] L. Pinna,et al. Protein kinase CK2 as a druggable target. , 2008, Molecular bioSystems.
[14] O. Issinger,et al. Crystal structure of human protein kinase CK2: insights into basic properties of the CK2 holoenzyme , 2001, The EMBO journal.
[15] C. Van Waes,et al. Emergence of protein kinase CK2 as a key target in cancer therapy , 2010, BioFactors.
[16] Roberto Battistutta,et al. Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer. , 2011, Biochemistry.
[17] T. Langer,et al. Morphinans and isoquinolines: acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptors. , 2010, Bioorganic & medicinal chemistry.
[18] D. Shugar,et al. Selectivity of 4,5,6,7-tetrabromobenzimidazole as an ATP-competitive potent inhibitor of protein kinase CK2 from various sources. , 2003, Biochemical and biophysical research communications.
[19] N. Socci,et al. Casein Kinase II Alpha Subunit and C1-Inhibitor Are Independent Predictors of Outcome in Patients with Squamous Cell Carcinoma of the Lung , 2004, Clinical Cancer Research.
[20] Q. You,et al. Structure‐Based Pharmacophore Modeling from Multicomplex: a Comprehensive Pharmacophore Generation of Protein Kinase CK2 and Virtual Screening Based on it for Novel Inhibitors , 2011, Molecular informatics.
[21] S. Davies,et al. Selectivity of 4,5,6,7‐tetrabromobenzotriazole, an ATP site‐directed inhibitor of protein kinase CK2 (‘casein kinase‐2’) , 2001, FEBS letters.
[22] J. Dias,et al. Decreased Degradation of Internalized Follicle-Stimulating Hormone Caused by Mutation of Aspartic Acid 6.30550 in a Protein Kinase-CK2 Consensus Sequence in the Third Intracellular Loop of Human Follicle-Stimulating Hormone Receptor1 , 2011, Biology of reproduction.
[23] P. Hawkins,et al. Comparison of shape-matching and docking as virtual screening tools. , 2007, Journal of medicinal chemistry.
[24] Ping-Chiang Lyu,et al. Generation of ligand-based pharmacophore model and virtual screening for identification of novel tubulin inhibitors with potent anticancer activity. , 2009, Journal of medicinal chemistry.
[25] Simona Distinto,et al. How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information , 2009, J. Chem. Inf. Model..
[26] Valerie J Gillet,et al. A Comparison of Field-Based Similarity Searching Methods: CatShape, FBSS, and ROCS , 2008, J. Chem. Inf. Model..
[27] J. Hensel,et al. Inhibition of protein kinase CK2 expression and activity blocks tumor cell growth , 2009, Molecular and Cellular Biochemistry.
[28] Robin Taylor,et al. A new test set for validating predictions of protein–ligand interaction , 2002, Proteins.
[29] N. Socci,et al. Casein Kinase II Alpha Subunit and C 1-Inhibitor Are Independent Predictors of Outcome in Patients with Squamous Cell Carcinoma of the Lung , 2004 .
[30] J. Coligan,et al. Casein kinase II is a selective target of HIV-1 transcriptional inhibitors. , 1997, Proceedings of the National Academy of Sciences of the United States of America.
[31] R. Weinmann,et al. Casein kinase type II is involved in the inhibition by 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole of specific RNA polymerase II transcription. , 1986, The Journal of biological chemistry.
[32] G. Unger,et al. Protein kinase CK2--a key suppressor of apoptosis. , 2008, Advances in enzyme regulation.
[33] Aurélien Grosdidier,et al. Identification of human IKK-2 inhibitors of natural origin (Part II): in Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity. , 2011, European journal of medicinal chemistry.
[34] J. A. Grant,et al. A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction. , 2005, Journal of medicinal chemistry.
[35] K. Ahmed,et al. Antisense oligonucleotides against protein kinase CK2‐α inhibit growth of squamous cell carcinoma of the head and neck in vitro , 2000, Head & neck.
[36] K. Leach,et al. Nuclear localization of protein kinase C. , 1993, Biochemical Society transactions.
[37] L. Pinna,et al. Protein kinase CK2 inhibitor 4,5,6,7-tetrabromobenzotriazole (TBB) induces apoptosis and caspase-dependent degradation of haematopoietic lineage cell-specific protein 1 (HS1) in Jurkat cells. , 2002, The Biochemical journal.
[38] R. Prudent,et al. New protein kinase CK2 inhibitors: jumping out of the catalytic box. , 2009, Chemistry & biology.
[39] D. Penzo,et al. Protein kinase CK 2 inhibitor 4 , 5 , 6 , 7-tetrabromobenzotriazole ( TBB ) induces apoptosis and caspase-dependent degradation of haematopoietic lineage cell-specific protein 1 ( HS 1 ) in Jurkat cells , 2022 .
[40] Christine Humblet,et al. Computation of 3D queries for ROCS based virtual screens , 2009, J. Comput. Aided Mol. Des..
[41] Hugo Gutiérrez-de-Terán,et al. Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A1, A2A, A2B, and A3 receptor antagonists , 2012, Journal of Computer-Aided Molecular Design.
[42] Adam Siddiqui-Jain,et al. Discovery and SAR of 5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CX-4945), the first clinical stage inhibitor of protein kinase CK2 for the treatment of cancer. , 2011, Journal of medicinal chemistry.
[43] C. Perretta,et al. Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities. , 2008, Bioorganic & medicinal chemistry letters.
[44] O. Issinger,et al. Differential CKII Activities in Human Colorectal Mucosa, Adenomas and Carcinomas , 1991 .
[45] Yu-Quan Wei,et al. Pharmacophore modeling and virtual screening studies of checkpoint kinase 1 inhibitors. , 2009, Chemical & pharmaceutical bulletin.
[46] Ruifeng Liu,et al. Using Molecular Fingerprint as Descriptors in the QSPR Study of Lipophilicity , 2008, J. Chem. Inf. Model..
[47] P. Purushottamachar,et al. First pharmacophore-based identification of androgen receptor down-regulating agents: discovery of potent anti-prostate cancer agents. , 2007, Bioorganic & medicinal chemistry.
[48] S. Sakkiah,et al. Ligand and structure based pharmacophore modeling to facilitate novel histone deacetylase 8 inhibitor design. , 2010, European journal of medicinal chemistry.
[49] L. Pinna,et al. One‐thousand‐and‐one substrates of protein kinase CK2? , 2003, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.
[50] D. Fabbro,et al. Discovery of a potent and selective protein kinase CK2 inhibitor by high-throughput docking. , 2003, Journal of medicinal chemistry.
[51] L. Cesaro,et al. Protein kinase CK2: a newcomer in the 'druggable kinome'. , 2006, Biochemical Society transactions.
[52] A. Zambon,et al. Development and exploitation of CK2 inhibitors , 2005, Molecular and Cellular Biochemistry.
[53] J. Bain,et al. Optimization of protein kinase CK2 inhibitors derived from 4,5,6,7-tetrabromobenzimidazole. , 2004, Journal of medicinal chemistry.
[54] P Willett,et al. Development and validation of a genetic algorithm for flexible docking. , 1997, Journal of molecular biology.
[55] O. Issinger,et al. Asymmetric expression of protein kinase CK2 subunits in human kidney tumors. , 1994, Biochemical and biophysical research communications.
[56] Anders Wallqvist,et al. Exploring Polypharmacology Using a ROCS-Based Target Fishing Approach , 2012, J. Chem. Inf. Model..