Three-dimensional quantitative structure-activity relationship studies on novel series of benzotriazine based compounds acting as Src inhibitors using CoMFA and CoMSIA.
暂无分享,去创建一个
Ricardo Vivas-Reyes | Carlos Gueto | Juan E. Torres | José L Ruiz | Juan E Torres | Jefferson Méndez | J. Ruiz | R. Vivas-Reyes | Carlos Gueto | Jefferson Méndez
[1] J. Hanke,et al. Discovery of a Novel, Potent, and Src Family-selective Tyrosine Kinase Inhibitor , 1996, The Journal of Biological Chemistry.
[2] T. T. Chou,et al. Selective inhibition of the tyrosine kinase pp60src by analogs of 5,10-dihydropyrimido[4,5-b]quinolin-4(1H)-one , 1995 .
[3] R. Bursi,et al. A three-dimensional quantitative structure-activity relationship study of heparin-binding epidermal growth factor shedding inhibitors using comparative molecular field analysis. , 2002, Journal of medicinal chemistry.
[4] Hong Zhu,et al. Discovery of [7-(2,6-dichlorophenyl)-5-methylbenzo [1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]amine--a potent, orally active Src kinase inhibitor with anti-tumor activity in preclinical assays. , 2007, Bioorganic & medicinal chemistry letters.
[5] R. Bohacek,et al. Bone-targeted 2,6,9-trisubstituted purines: novel inhibitors of Src tyrosine kinase for the treatment of bone diseases. , 2003, Bioorganic & medicinal chemistry letters.
[6] D. Boschelli,et al. Synthesis and Src kinase inhibitory activity of 2-phenyl- and 2-thienyl-7-phenylaminothieno[3,2-b]pyridine-6-carbonitriles. , 2005, Journal of medicinal chemistry.
[7] 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.
[8] Eamonn F. Healy,et al. Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model , 1985 .
[9] Ki Duk Park,et al. Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives. , 2003, Journal of medicinal chemistry.
[10] D. Boschelli,et al. Inhibition of Src kinase activity by 7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-heteroaryl-thieno[3,2-b]pyridine-6-carbonitriles. , 2005, Bioorganic & medicinal chemistry letters.
[11] Timothy J. Yeatman,et al. A renaissance for SRC , 2004, Nature Reviews Cancer.
[12] R. Cramer,et al. Validation of the general purpose tripos 5.2 force field , 1989 .
[13] Fabrizio Manetti,et al. A combination of docking/dynamics simulations and pharmacophoric modeling to discover new dual c-Src/Abl kinase inhibitors. , 2006, Journal of medicinal chemistry.
[14] Heung-Chin Cheng,et al. Activation of Src in human breast tumor cell lines: elevated levels of phosphotyrosine phosphatase activity that preferentially recognizes the Src carboxy terminal negative regulatory tyrosine 530 , 1999, Oncogene.
[15] H. Friess,et al. Overexpression and activation of the tyrosine kinase Src in human pancreatic carcinoma. , 1998, Biochemical and biophysical research communications.
[16] Timothy J. Yeatman,et al. Activating SRC mutation in a subset of advanced human colon cancers , 1999, Nature Genetics.
[17] D. Fabbro,et al. SRC family kinases: potential targets for the treatment of human cancer and leukemia. , 2003, Current pharmaceutical design.
[18] L. Lai,et al. Synthesis, fungicidal activity, and 3D-QSAR of pyridazinone-substituted 1,3,4-oxadiazoles and 1,3,4-thiadiazoles. , 2002, Journal of agricultural and food chemistry.
[19] Sheila M. Thomas,et al. Cellular functions regulated by Src family kinases. , 1997, Annual review of cell and developmental biology.
[20] 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.
[21] D. Boschelli,et al. Identification of 7-phenylaminothieno- [3,2-b]pyridine-6-carbonitriles as a new class of Src kinase inhibitors. , 2004, Journal of medicinal chemistry.
[22] Susan Adams,et al. Structural Basis of Src Tyrosine Kinase Inhibition with a New Class of Potent and Selective Trisubstituted Purine‐based Compounds , 2006, Chemical biology & drug design.
[23] P. Geladi. Notes on the history and nature of partial least squares (PLS) modelling , 1988 .
[24] N. Rosen,et al. Activation of pp60c-src protein kinase activity in human colon carcinoma. , 1987, Proceedings of the National Academy of Sciences of the United States of America.
[25] 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.
[26] Joel Renick,et al. Discovery and preliminary structure-activity relationship studies of novel benzotriazine based compounds as Src inhibitors. , 2006, Bioorganic & medicinal chemistry letters.
[27] M. Frame,et al. Newest findings on the oldest oncogene; how activated src does it , 2004, Journal of Cell Science.
[28] G. Rijksen,et al. c‐Src PROTEIN EXPRESSION IS INCREASED IN HUMAN BREAST CANCER. AN IMMUNOHISTOCHEMICAL AND BIOCHEMICAL ANALYSIS , 1996, The Journal of pathology.
[29] J. Gasteiger,et al. ITERATIVE PARTIAL EQUALIZATION OF ORBITAL ELECTRONEGATIVITY – A RAPID ACCESS TO ATOMIC CHARGES , 1980 .
[30] C. Cartwright,et al. Activation of the pp60c-src protein kinase is an early event in colonic carcinogenesis. , 1990, Proceedings of the National Academy of Sciences of the United States of America.
[31] M. Modugno,et al. Pyrazolo[3,4-d]pyrimidines as potent antiproliferative and proapoptotic agents toward A431 and 8701-BC cells in culture via inhibition of c-Src phosphorylation. , 2006, Journal of medicinal chemistry.
[32] A. Zilberstein,et al. The preparation and sar of 4-(anilino), 4-(phenoxy), and 4-(thiophenoxy)-quinazolines: Inhibitors of p56lck and EGF-R tyrosine kinase activity , 1997 .
[33] Nouri Neamati,et al. Application of CoMFA and CoMSIA 3D-QSAR and docking studies in optimization of mercaptobenzenesulfonamides as HIV-1 integrase inhibitors. , 2004, Journal of medicinal chemistry.