Identification of N-phenyl-2-(N-phenylphenylsulfonamido)acetamides as new RORγ inverse agonists: Virtual screening, structure-based optimization, and biological evaluation.
暂无分享,去创建一个
Yu Song | Yan Zhang | Xishan Wu | Yong Xu | Xiaoqian Xue | Yan Zhang | Yong Xu | C. Qian | Yanli Xing | Yulai Zhou | Chao-Nan Qian | Rui Wang | Weiqun Yan | Weiqun Yan | Rui Wang | Yu-lai Zhou | Xi-shan Wu | Ya-Cheng Xing | Xiao-qian Xue | Yu-su Song
[1] Woody Sherman,et al. Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods , 2010, J. Cheminformatics.
[2] S. Cutler,et al. Identification and Mechanism of ABA Receptor Antagonism , 2010, Nature Structural &Molecular Biology.
[3] Ruben D. Garcia-Ordonez,et al. Synthetic RORγt Agonists Enhance Protective Immunity. , 2016, ACS chemical biology.
[4] Weihua Li,et al. Discovery of potent ligands for estrogen receptor beta by structure-based virtual screening. , 2010, Journal of medicinal chemistry.
[5] Adam R. Johnson,et al. Discovery of 1-{4-[3-fluoro-4-((3s,6r)-3-methyl-1,1-dioxo-6-phenyl-[1,2]thiazinan-2-ylmethyl)-phenyl]-piperazin-1-yl}-ethanone (GNE-3500): a potent, selective, and orally bioavailable retinoic acid receptor-related orphan receptor C (RORc or RORγ) inverse agonist. , 2015, Journal of medicinal chemistry.
[6] Jun Li,et al. Identification of SRC3/AIB1 as a Preferred Coactivator for Hormone-activated Androgen Receptor*♦ , 2010, The Journal of Biological Chemistry.
[7] F. Niesen,et al. The use of differential scanning fluorimetry to detect ligand interactions that promote protein stability , 2007, Nature Protocols.
[8] Yan Zhang,et al. An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants , 2013, Cell Research.
[9] Hege S. Beard,et al. Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening. , 2004, Journal of medicinal chemistry.
[10] L. Solt,et al. Action of RORs and their ligands in (patho)physiology , 2012, Trends in Endocrinology & Metabolism.
[11] J. D. Engel,et al. The Orphan Nuclear Receptor TR4 Is a Vitamin A-activated Nuclear Receptor*♦ , 2010, The Journal of Biological Chemistry.
[12] Ling Zhou,et al. Increasing Human Th17 Differentiation through Activation of Orphan Nuclear Receptor Retinoid Acid-Related Orphan Receptor γ (RORγ) by a Class of Aryl Amide Compounds , 2012, Molecular Pharmacology.
[13] J. D. Elliott,et al. Discovery of Biaryl Amides as Potent, Orally Bioavailable, and CNS Penetrant RORγt Inhibitors. , 2015, ACS medicinal chemistry letters.
[14] Yan Zhang,et al. ROR nuclear receptors: structures, related diseases, and drug discovery , 2014, Acta Pharmacologica Sinica.
[15] Scott A. Busby,et al. The Benzenesulfoamide T0901317 [N-(2,2,2-Trifluoroethyl)-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]-benzenesulfonamide] Is a Novel Retinoic Acid Receptor-Related Orphan Receptor-α/γ Inverse Agonist , 2010, Molecular Pharmacology.
[16] Weihua Li,et al. Discovery of New Non‐Steroidal Farnesoid X Receptor Modulators Through 3D Shape Similarity Search and Structure‐Based Virtual Screening , 2015, Chemical biology & drug design.
[17] Jun Li,et al. Identification and Mechanism of 10-Carbon Fatty Acid as Modulating Ligand of Peroxisome Proliferator-activated Receptors* , 2011, The Journal of Biological Chemistry.
[18] Yan Zhang,et al. Discovery of 2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide derivatives as new RORγ inhibitors using virtual screening, synthesis and biological evaluation. , 2014, European journal of medicinal chemistry.
[19] Woody Sherman,et al. Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments , 2013, Journal of Computer-Aided Molecular Design.
[20] Xiaofeng Liu,et al. SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening , 2011, J. Chem. Inf. Model..
[21] K. Umesono,et al. The nuclear receptor superfamily: The second decade , 1995, Cell.
[22] P. Griffin,et al. Identification of SR2211: a potent synthetic RORγ-selective modulator. , 2012, ACS chemical biology.
[23] Joseph D. Kwasnoski,et al. High-density miniaturized thermal shift assays as a general strategy for drug discovery. , 2001, Journal of biomolecular screening.
[24] M. Becker‐André,et al. A novel isoform of the orphan nuclear receptor RORbeta is specifically expressed in pineal gland and retina. , 1998, Gene.
[25] H. Xu,et al. Abscisic Acid Signaling: Thermal Stability Shift Assays as Tool to Analyze Hormone Perception and Signal Transduction , 2012, PloS one.
[26] Woody Sherman,et al. ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers , 2010, J. Chem. Inf. Model..
[27] M. Tsai,et al. Identification of COUP-TFII Orphan Nuclear Receptor as a Retinoic Acid–Activated Receptor , 2008, PLoS biology.
[28] R. Evans,et al. The steroid and thyroid hormone receptor superfamily. , 1988, Science.
[29] Thomas Korn,et al. IL-17 and Th17 Cells. , 2009, Annual review of immunology.
[30] Karl J. Dykema,et al. Identification of a Lysosomal Pathway That Modulates Glucocorticoid Signaling and the Inflammatory Response , 2011, Science Signaling.
[31] D. Littman,et al. The orphan nuclear receptor RORgammat directs the differentiation program of proinflammatory IL-17+ T helper cells. , 2006, Cell.
[32] Chen Dong,et al. Molecular antagonism and plasticity of regulatory and inflammatory T cell programs. , 2008, Immunity.
[33] Matthew P. Repasky,et al. Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. , 2004, Journal of medicinal chemistry.
[34] Yong Li,et al. Structural basis for hydroxycholesterols as natural ligands of orphan nuclear receptor RORgamma. , 2010, Molecular endocrinology.
[35] Yan Zhang,et al. Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation. , 2016, Journal of medicinal chemistry.
[36] Jeremy R. Greenwood,et al. Epik: a software program for pKa prediction and protonation state generation for drug-like molecules , 2007, J. Comput. Aided Mol. Des..
[37] C. Ottmann,et al. Identification of an allosteric binding site for RORγt inhibition , 2015, Nature Communications.
[38] Mark S. Sundrud,et al. Pharmacologic Inhibition of RORγt Regulates Th17 Signature Gene Expression and Suppresses Cutaneous Inflammation In Vivo , 2014, The Journal of Immunology.
[39] H. Xu,et al. Identification of Small Molecule Inhibitors of PTPσ through an Integrative Virtual and Biochemical Approach , 2012, PloS one.
[40] B. Fauber,et al. Modulators of the nuclear receptor retinoic acid receptor-related orphan receptor-γ (RORγ or RORc). , 2014, Journal of medicinal chemistry.
[41] D. Coradini,et al. The role of maintenance proteins in the preservation of epithelial cell identity during mammary gland remodeling and breast cancer initiation , 2014, Chinese journal of cancer.
[42] Woody Sherman,et al. Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments , 2010, J. Chem. Inf. Model..
[43] D. Littman,et al. The Orphan Nuclear Receptor RORγt Directs the Differentiation Program of Proinflammatory IL-17+ T Helper Cells , 2006, Cell.
[44] Hualiang Jiang,et al. Discovery and Optimization of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Pharmacophore- and Docking-Based Virtual Screening. , 2015, Journal of medicinal chemistry.