Computational Modeling-Based Discovery of Novel Classes of Anti-Inflammatory Drugs That Target Lanthionine Synthetase C-Like Protein 2
暂无分享,去创建一个
Raquel Hontecillas | Josep Bassaganya-Riera | Monica Viladomiu | Pinyi Lu | William T. Horne | David R. Bevan | Stephanie N. Lewis | Adria Carbo | Mireia Pedragosa | J. Bassaganya-Riera | R. Hontecillas | A. Carbo | D. Bevan | Pinyi Lu | M. Viladomiu | M. Pedragosa | W. Horne | S. Lewis | Adria Carbo
[1] Brian K. Shoichet,et al. ZINC - A Free Database of Commercially Available Compounds for Virtual Screening , 2005, J. Chem. Inf. Model..
[2] C. James,et al. Lanthionine synthetase components C-like 2 increases cellular sensitivity to adriamycin by decreasing the expression of P-glycoprotein through a transcription-mediated mechanism. , 2003, Cancer research.
[3] Stefano Costanzi,et al. On the applicability of GPCR homology models to computer-aided drug discovery: a comparison between in silico and crystal structures of the beta2-adrenergic receptor. , 2008, Journal of medicinal chemistry.
[4] K Schulten,et al. VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.
[5] Todd J. A. Ewing,et al. DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases , 2001, J. Comput. Aided Mol. Des..
[6] M. Leach,et al. The Role of IL-10 in Inflammatory Bowel Disease: "Of Mice and Men" , 1999, Toxicologic pathology.
[7] Ruben Abagyan,et al. Discovery of diverse thyroid hormone receptor antagonists by high-throughput docking , 2003, Proceedings of the National Academy of Sciences of the United States of America.
[8] T. Naka,et al. IL-6-dependent and -independent pathways in the development of interleukin 17-producing T helper cells , 2007, Proceedings of the National Academy of Sciences.
[9] D. J. Price,et al. Assessing scoring functions for protein-ligand interactions. , 2004, Journal of medicinal chemistry.
[10] J. Bassaganya-Riera,et al. Abscisic acid synergizes with rosiglitazone to improve glucose tolerance and down-modulate macrophage accumulation in adipose tissue: possible action of the cAMP/PKA/PPAR γ axis. , 2010, Clinical nutrition.
[11] L. Sturla,et al. Binding of abscisic acid to human LANCL2. , 2011, Biochemical and biophysical research communications.
[12] Walter Filgueira de Azevedo,et al. Protein crystallography in drug discovery. , 2008, Current drug targets.
[13] J. Bassaganya-Riera,et al. Abscisic acid ameliorates experimental IBD by downregulating cellular adhesion molecule expression and suppressing immune cell infiltration. , 2010, Clinical nutrition.
[14] Emanuela Jacchetti,et al. LANCL2 Is Necessary for Abscisic Acid Binding and Signaling in Human Granulocytes and in Rat Insulinoma Cells* , 2009, The Journal of Biological Chemistry.
[15] J. Bassaganya-Riera,et al. T cell PPARγ is required for the anti-inflammatory efficacy of abscisic acid against experimental IBD. , 2011, The Journal of nutritional biochemistry.
[16] J. Bassaganya-Riera,et al. Abscisic acid ameliorates atherosclerosis by suppressing macrophage and CD4+ T cell recruitment into the aortic wall. , 2010, The Journal of nutritional biochemistry.
[17] J. Bassaganya-Riera,et al. Molecular modeling of lanthionine synthetase component C-like protein 2: a potential target for the discovery of novel type 2 diabetes prophylactics and therapeutics , 2011, Journal of molecular modeling.
[18] S. Snapper,et al. Regulatory T cells in inflammatory bowel disease , 2008, Current opinion in gastroenterology.
[19] Yanjun Liu,et al. Structure of human lanthionine synthetase C-like protein 1 and its interaction with Eps8 and glutathione. , 2009, Genes & development.
[20] Gerhard Klebe,et al. Ligand-supported homology modeling of g-protein-coupled receptor sites: models sufficient for successful virtual screening. , 2004, Angewandte Chemie.
[21] B. Sobral,et al. Abscisic Acid Regulates Inflammation via Ligand-binding Domain-independent Activation of Peroxisome Proliferator-activated Receptor γ* , 2010, The Journal of Biological Chemistry.
[22] Brian K. Shoichet,et al. Virtual screening of chemical libraries , 2004, Nature.
[23] J. Bassaganya-Riera,et al. Mechanisms of action and medicinal applications of abscisic Acid. , 2010, Current Medicinal Chemistry.
[24] J. Bassaganya-Riera,et al. Loss of PPARγ in immune cells impairs the ability of abscisic acid to improve insulin sensitivity by suppressing monocyte chemoattractant protein-1 expression and macrophage infiltration into white adipose tissue , 2008 .
[25] J. Thornton,et al. PROCHECK: a program to check the stereochemical quality of protein structures , 1993 .
[26] Conrad C. Huang,et al. UCSF Chimera—A visualization system for exploratory research and analysis , 2004, J. Comput. Chem..
[27] R. Prohaska,et al. Myristoylation of human LanC-like protein 2 (LANCL2) is essential for the interaction with the plasma membrane and the increase in cellular sensitivity to adriamycin. , 2006, Biochimica et biophysica acta.
[28] Didier Rognan,et al. Protein‐based virtual screening of chemical databases. II. Are homology models of g‐protein coupled receptors suitable targets? , 2002, Proteins.
[29] Torsten Schwede,et al. The SWISS-MODEL workspace: a web-based environment for protein structure homology modelling , 2006, Bioinform..
[30] Xiaomin Luo,et al. PDTD: a web-accessible protein database for drug target identification , 2008, BMC Bioinformatics.
[31] F. Melo,et al. Assessing protein structures with a non-local atomic interaction energy. , 1998, Journal of molecular biology.
[32] J. Bassaganya-Riera,et al. Dietary abscisic acid ameliorates glucose tolerance and obesity-related inflammation in db/db mice fed high-fat diets. , 2007, Clinical nutrition.
[33] R. Prohaska,et al. Molecular Cloning, Characterization, and Tissue-Specific Expression of Human LANCL2, a Novel Member of the LanC-Like Protein Family , 2001, DNA sequence : the journal of DNA sequencing and mapping.
[34] Xiaomin Luo,et al. TarFisDock: a web server for identifying drug targets with docking approach , 2006, Nucleic Acids Res..
[35] Shao-heng He,et al. IL-10 and its related cytokines for treatment of inflammatory bowel disease. , 2004, World journal of gastroenterology.
[36] Arthur J. Olson,et al. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading , 2009, J. Comput. Chem..
[37] C. Usai,et al. Abscisic Acid Is an Endogenous Stimulator of Insulin Release from Human Pancreatic Islets with Cyclic ADP Ribose as Second Messenger* , 2008, Journal of Biological Chemistry.
[38] B. Rollins,et al. Critical role of MCP-1 in the pathogenesis of experimental colitis in the context of immune and enterochromaffin cells. , 2006, American journal of physiology. Gastrointestinal and liver physiology.
[39] David S. Goodsell,et al. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility , 2009, J. Comput. Chem..
[40] J. Bassaganya-Riera,et al. Loss of PPAR gamma in immune cells impairs the ability of abscisic acid to improve insulin sensitivity by suppressing monocyte chemoattractant protein-1 expression and macrophage infiltration into white adipose tissue. , 2008, The Journal of nutritional biochemistry.
[41] J. Bassaganya-Riera,et al. Activation of PPAR gamma and delta by conjugated linoleic acid mediates protection from experimental inflammatory bowel disease. , 2004, Gastroenterology.
[42] J. Bassaganya-Riera,et al. Activation of PPAR γ and δ by conjugated linoleic acid mediates protection from experimental inflammatory bowel disease , 2004 .
[43] F. Powrie,et al. Regulatory T cells and inflammatory bowel disease. , 1999, Immunology today.
[44] W. A. van der Donk,et al. Biosynthesis and mode of action of lantibiotics. , 2005, Chemical reviews.
[45] M. Neurath,et al. Il-6 signaling in inflammatory bowel disease: pathophysiological role and clinical relevance. , 2007, Inflammatory bowel diseases.
[46] A. Marchler-Bauer,et al. Isolation, molecular characterization, and tissue-specific expression of a novel putative G protein-coupled receptor. , 1998, Biochimica et biophysica acta.