A combined 3D QSAR and pharmacophore-based virtual screening for the identification of potent p38 MAP kinase inhibitors: an in silico approach
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[1] Ravindra G. Kulkarni,et al. Novel targets for antiinflammatory and antiarthritic agents. , 2006, Current pharmaceutical design.
[2] C. Dominguez,et al. p38 MAP kinase inhibitors: many are made, but few are chosen. , 2005, Current opinion in drug discovery & development.
[3] Robert Newton,et al. Inhibitors of p38 Mitogen-Activated Protein Kinase , 2003, BioDrugs.
[4] D. Zaller,et al. Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase. , 2003, Bioorganic & medicinal chemistry letters.
[5] M. Feldmann,et al. Cytokines and anti-cytokine biologicals in autoimmunity: present and future. , 2002, Cytokine & growth factor reviews.
[6] Andrew R. Leach,et al. A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP , 2002, J. Comput. Aided Mol. Des..
[7] H. Kubinyi. Comparative Molecular Field Analysis (CoMFA) , 2002 .
[8] M. Cobb,et al. Mitogen-activated protein (MAP) kinase pathways: regulation and physiological functions. , 2001, Endocrine reviews.
[9] G Klebe,et al. Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin, and factor Xa. , 1999, Journal of medicinal chemistry.
[10] Ajay N. Jain,et al. Automatic identification and representation of protein binding sites for molecular docking , 1997, Protein science : a publication of the Protein Society.
[11] Jiahuai Han,et al. The primary structure of p38 gamma: a new member of p38 group of MAP kinases. , 1996, Biochemical and biophysical research communications.
[12] Wei Guo,et al. Characterization of the Structure and Function of a New Mitogen-activated Protein Kinase (p38β)* , 1996, The Journal of Biological Chemistry.
[13] Gareth Jones,et al. A genetic algorithm for flexible molecular overlay and pharmacophore elucidation , 1995, J. Comput. Aided Mol. Des..
[14] T. Pincus,et al. Prognostic markers of activity and damage in rheumatoid arthritis: why clinical trials and inception cohort studies indicate more favourable outcomes than studies of patients with established disease. , 1995, British journal of rheumatology.
[15] Jerry L. Adams,et al. A protein kinase involved in the regulation of inflammatory cytokine biosynthesis , 1994, Nature.
[16] G. Klebe,et al. Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity. , 1994, Journal of medicinal chemistry.
[17] G. Klebe. The use of composite crystal-field environments in molecular recognition and the de novo design of protein ligands. , 1994, Journal of molecular biology.
[18] E. Keystone,et al. Restricted cytokine expression in rheumatoid arthritis. , 1993, Arthritis and rheumatism.
[19] Yvonne C. Martin,et al. A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists , 1993, J. Comput. Aided Mol. Des..
[20] C. Dinarello,et al. Inflammatory cytokines: interleukin-1 and tumor necrosis factor as effector molecules in autoimmune diseases , 1991, Current Biology.
[21] Arup K. Ghose,et al. Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics , 1989, J. Chem. Inf. Comput. Sci..
[22] R. Cramer,et al. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. , 1988, Journal of the American Chemical Society.
[23] P. Geladi. Notes on the history and nature of partial least squares (PLS) modelling , 1988 .
[24] S. Wold,et al. The Collinearity Problem in Linear Regression. The Partial Least Squares (PLS) Approach to Generalized Inverses , 1984 .
[25] S. Wold. Cross-Validatory Estimation of the Number of Components in Factor and Principal Components Models , 1978 .
[26] Robert Newton,et al. Inhibitors of p38 mitogen-activated protein kinase: potential as anti-inflammatory agents in asthma? , 2003, BioDrugs : clinical immunotherapeutics, biopharmaceuticals and gene therapy.
[27] R. Maini,et al. The Role of Cytokines in Rheumatoid Arthritis , 1996, Journal of the Royal College of Physicians of London.
[28] T. Pincus. Long-term outcomes in rheumatoid arthritis. , 1995, British journal of rheumatology.
[29] D. E. Patterson,et al. Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies , 1988 .
[30] P. Willett,et al. A Comparison of Some Measures for the Determination of Inter‐Molecular Structural Similarity Measures of Inter‐Molecular Structural Similarity , 1986 .