Preclinical Development Handbook
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[1] D. Otzen,et al. Structural background of cyclodextrin-protein interactions. , 2003, Protein engineering.
[2] S. Harrison,et al. Structure of SARS Coronavirus Spike Receptor-Binding Domain Complexed with Receptor , 2005, Science.
[3] N. Shibata,et al. Absorption of interferon alpha from patches in rats , 2005, Journal of drug targeting.
[4] E. J. Oliveira,et al. Liquid chromatography-mass spectrometry in the study of the metabolism of drugs and other xenobiotics. , 2000, Biomedical chromatography : BMC.
[5] Shaomeng Wang,et al. Structure-based design, synthesis and biochemical testing of novel and potent Smac peptido-mimetics. , 2005, Bioorganic & medicinal chemistry letters.
[6] Hans-Joachim Böhm,et al. LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads , 1992, J. Comput. Aided Mol. Des..
[7] K. Rossman,et al. Crystal structure of Rac1 in complex with the guanine nucleotide exchange region of Tiam1 , 2000, Nature.
[8] W. Naidong,et al. Bioanalytical liquid chromatography tandem mass spectrometry methods on underivatized silica columns with aqueous/organic mobile phases. , 2003, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[9] J. Rosenfeld. Solid-phase analytical derivatization: enhancement of sensitivity and selectivity of analysis. , 1999, Journal of chromatography. A.
[10] Xiaodong Wang,et al. A Small Molecule Smac Mimic Potentiates TRAIL- and TNFα-Mediated Cell Death , 2004, Science.
[11] Q. Xu,et al. Physical and chemical stability of gemcitabine hydrochloride solutions. , 1999, Journal of the American Pharmaceutical Association.
[12] L. Vassilev,et al. Targeting protein–protein interactions for cancer therapy , 2005, Journal of Molecular Medicine.
[13] P. Perämäki,et al. Development of analytical methods for the determination of sub-ppm concentrations of palladium and iron in methotrexate. , 2004, Journal of pharmaceutical and biomedical analysis.
[14] M. Jemal. High-throughput quantitative bioanalysis by LC/MS/MS. , 2000, Biomedical chromatography : BMC.
[15] F. Lombardo,et al. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. , 2001, Advanced drug delivery reviews.
[16] Michelle Arkin,et al. Protein-protein interactions and cancer: small molecules going in for the kill. , 2005, Current opinion in chemical biology.
[17] D. Mount. Bioinformatics: Sequence and Genome Analysis , 2001 .
[18] H. Nakazawa,et al. Application of liquid chromatography-mass spectrometry to the quantification of bisphenol A in human semen. , 2002, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[19] R. Elgie. A Fresh Look at Semipresidentialism: Variations on a Theme , 2005 .
[20] Brian K. Shoichet,et al. ZINC - A Free Database of Commercially Available Compounds for Virtual Screening , 2005, J. Chem. Inf. Model..
[21] Jonathan M. Goodman,et al. Chemical Applications of Molecular Modeling , 1998 .
[22] J. Jasper. The increasing use of stable isotopes in the pharmaceutical industry , 1999 .
[23] A. Verkman. Drug discovery in academia. , 2004, American journal of physiology. Cell physiology.
[24] Michael P. Hall,et al. Stable isotope methods for high-precision proteomics. , 2005, Drug discovery today.
[25] J Mazziotta,et al. A probabilistic atlas and reference system for the human brain: International Consortium for Brain Mapping (ICBM). , 2001, Philosophical transactions of the Royal Society of London. Series B, Biological sciences.
[26] Æleen Frisch,et al. Exploring chemistry with electronic structure methods , 1996 .
[27] S. Srinivasula,et al. Structure-based discovery of an organic compound that binds Bcl-2 protein and induces apoptosis of tumor cells. , 2000, Proceedings of the National Academy of Sciences of the United States of America.
[28] J. di Iulio,et al. Optimization of a pharmacophore model for 5-HT4 agonists using CoMFA and receptor based alignment. , 2006, European journal of medicinal chemistry.
[29] M. Schulz,et al. Ultrathin-layer chromatography. , 2002, Journal of chromatographic science.
[30] A. Leo,et al. Substituent constants for correlation analysis in chemistry and biology , 1979 .
[31] Z. Ouyang,et al. The Use of a Dual Dye Photometric Calibration Method to Identify Possible Sample Dilution from an Automated Multichannel Liquid-handling System , 2006 .
[32] D. Louis Collins,et al. Application of Information Technology: A Four-Dimensional Probabilistic Atlas of the Human Brain , 2001, J. Am. Medical Informatics Assoc..
[33] E. Solon,et al. Whole-body autoradiography in drug discovery. , 2002, Current drug metabolism.
[34] S. Ebel. Chromatographic Analysis of Pharmaceuticals, 2nd edition , 1997 .
[35] Shaomeng Wang,et al. Targeting Bcl-2 and Bcl-XL with nonpeptidic small-molecule antagonists. , 2003, Seminars in oncology.
[36] Nenad Trinajstić,et al. An algorithm for construction of the molecular distance matrix , 1987 .
[37] Erik Nordling,et al. Generalization of a targeted library design protocol: application to 5-HT7 receptor ligands. , 2004, Journal of chemical information and computer sciences.
[38] Gisbert Schneider,et al. Virtual screening and fast automated docking methods. , 2002, Drug discovery today.
[39] Thilo Stehle,et al. Crystal Structure of the Extracellular Segment of Integrin αVβ3 in Complex with an Arg-Gly-Asp Ligand , 2002, Science.
[40] D. Dimitrov,et al. The SARS-CoV S glycoprotein: expression and functional characterization , 2003, Biochemical and Biophysical Research Communications.
[41] O. Ivanciuc,et al. Comparative Receptor Surface Analysis (CoRSA) Model for Calcium Channel Antagonists , 2001, SAR and QSAR in environmental research.
[42] A. Maritan,et al. The intracellular antibody capture technology (IACT): towards a consensus sequence for intracellular antibodies. , 2002, Journal of molecular biology.
[43] D. T. Rossi,et al. Integrated sample collection and handling for drug discovery bioanalysis. , 2000, Journal of pharmaceutical and biomedical analysis.
[44] W. Sponsel,et al. Determination of voriconazole in aqueous humor by liquid chromatography-electrospray ionization-mass spectrometry. , 2002, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[45] R. Webster Homer,et al. SYBYL Line Notation (SLN): A Versatile Language for Chemical Structure Representation , 1997, J. Chem. Inf. Comput. Sci..
[46] Anthony Long,et al. Computer systems for the prediction of xenobiotic metabolism. , 2002, Advanced drug delivery reviews.
[47] Dipanwita Roy Chowdhury,et al. Human protein reference database as a discovery resource for proteomics , 2004, Nucleic Acids Res..
[48] Y. Guan,et al. The severe acute respiratory syndrome. , 2003, The New England journal of medicine.
[49] D. Dalvie,et al. Recent advances in the applications of radioisotopes in drug metabolism, toxicology and pharmacokinetics. , 2000, Current pharmaceutical design.
[50] Shibo Jiang,et al. Design of a protein surface antagonist based on alpha-helix mimicry: inhibition of gp41 assembly and viral fusion. , 2002, Angewandte Chemie.
[51] G. M. Consoli,et al. Designed calix[8]arene-based ligands for selective tryptase surface recognition. , 2004, Bioorganic & medicinal chemistry.
[52] Jürgen Bajorath,et al. Chemoinformatics : concepts, methods, and tools for drug discovery , 2004 .
[53] J. Henion,et al. High-throughput liquid chromatography-tandem mass spectrometry determination of bupropion and its metabolites in human, mouse and rat plasma using a monolithic column. , 2004, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[54] William J. Welsh,et al. Enrichment of Ligands for the Serotonin Receptor Using the Shape Signatures Approach , 2005, J. Chem. Inf. Model..
[55] N. Claude Cohen,et al. Guidebook on molecular modeling in drug design , 1996 .
[56] H. Nohta,et al. Fluorogenic reactions for biomedical chromatography. , 1994, Journal of chromatography. B, Biomedical applications.
[57] A. Hamilton,et al. Catalytic unfolding and proteolysis of cytochrome C induced by synthetic binding agents. , 2004, Journal of the American Chemical Society.
[58] K. Heinig,et al. Application of column-switching liquid chromatography-tandem mass spectrometry for the determination of pharmaceutical compounds in tissue samples. , 2002, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[59] C. Hanson. Healthcare Informatics , 2005 .
[60] Timothy Clark,et al. In Silico Prediction of Buffer Solubility Based on Quantum-Mechanical and HQSAR- and Topology-Based Descriptors , 2006, J. Chem. Inf. Model..
[61] E. Coutinho,et al. A CoMFA study of COX-2 inhibitors with receptor based alignment. , 2004, Journal of molecular graphics & modelling.
[62] L. Hall,et al. Molecular connectivity in chemistry and drug research , 1976 .
[63] Stephen F. Betz,et al. Structural basis for binding of Smac/DIABLO to the XIAP BIR3 domain , 2000, Nature.
[64] V. Schurig. Practice and theory of enantioselective complexation gas chromatography. , 2002, Journal of chromatography. A.
[65] O. Lastra,et al. Development and validation of an UV derivative spectrophotometric determination of Losartan potassium in tablets. , 2003, Journal of pharmaceutical and biomedical analysis.
[66] Marie-Paule Lefranc,et al. Ontology for immunogenetics: the IMGT-ONTOLOGY , 1999, Bioinform..
[67] W Griffith Humphreys,et al. Safety assessment of drug metabolites: Characterization of chemically stable metabolites. , 2006, Chemical research in toxicology.
[68] Marie-Paule Lefranc,et al. IMGT-ONTOLOGY for immunogenetics and immunoinformatics , 2003, Silico Biol..
[69] J. Ermer,et al. Applications of hyphenated LC-MS techniques in pharmaceutical analysis. , 2000, Biomedical chromatography : BMC.
[70] Carlos G. Bell,et al. LIQUID SCINTILLATION COUNTING , 1959 .
[71] Vladimir Brusic,et al. Bioinformatic strategies for better understanding of immune function , 2003, Silico Biol..
[72] Gerd Folkers,et al. Molecular Modeling, Basic Principles and Applications , 1996 .
[73] D. Wu,et al. Pharmacokinetics, mass balance, and tissue distribution of a novel DNA alkylating agent, VNP40101M, in rats , 2008, AAPS PharmSci.
[74] E. Hahn‐Deinstrop. Applied thin-layer chromatography , 2000 .
[75] Yuan-Qing Xia,et al. LC-MS Development strategies for quantitative bioanalysis. , 2006, Current drug metabolism.
[76] S F Howard,et al. Molecular characterization of the hdm2-p53 interaction. , 1997, Journal of molecular biology.
[77] Rick Mullin. TUFTS REPORT ANTICIPATES UPTURN: Cites drugmakers' actions to accelerate drug development , 2006 .
[78] B. Matuszewski,et al. Strategies for the assessment of matrix effect in quantitative bioanalytical methods based on HPLC-MS/MS. , 2003, Analytical chemistry.
[79] I. Benhar. Biotechnological applications of phage and cell display. , 2001, Biotechnology advances.
[80] F. Tagliaro,et al. Biomedical applications of capillary electrophoresis. , 1994, Journal of chromatography. B, Biomedical applications.
[81] Markus A Lill,et al. Novel ligands for the chemokine receptor-3 (CCR3): a receptor-modeling study based on 5D-QSAR. , 2005, Journal of medicinal chemistry.
[82] J. Henion,et al. Liquid-liquid extraction in the 96-well plate format with SRM LC/MS quantitative determination of methotrexate and its major metabolite in human plasma. , 1999, Analytical chemistry.
[83] Wei Zhou,et al. Direct injection of 96-well organic extracts onto a hydrophilic interaction chromatography/tandem mass spectrometry system using a silica stationary phase and an aqueous/organic mobile phase. , 2004, Rapid communications in mass spectrometry : RCM.
[84] N. Srinivas,et al. Gas chromatographic determination of enantiomers as diastereomers following pre-column derivatization and applications to pharmacokinetic studies: a review. , 1995, Biomedical chromatography : BMC.
[85] Ich Step,et al. ICH Q1E EVALUATION OF stability DATA , 2003 .
[86] J. Gasteiger,et al. Chemoinformatics: A Textbook , 2003 .
[87] M. Pastor,et al. A strategy for the incorporation of water molecules present in a ligand binding site into a three-dimensional quantitative structure--activity relationship analysis. , 1997, Journal of medicinal chemistry.
[88] Richard S Larson,et al. Design and structure of peptide and peptidomimetic antagonists of protein-protein interaction. , 2005, Current protein & peptide science.
[89] A. Hamilton,et al. Modulation of protein–protein interactions by synthetic receptors: Design of molecules that disrupt serine protease–proteinaceous inhibitor interaction , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[90] K. Brown,et al. Techniques: the application of accelerator mass spectrometry to pharmacology and toxicology. , 2004, Trends in pharmacological sciences.
[91] W. Lambert,et al. Matrix effect in bio-analysis of illicit drugs with LC-MS/MS: Influence of ionization type, sample preparation, and biofluid , 2003, Journal of the American Society for Mass Spectrometry.
[92] M. Borsaru,et al. Neutron activation analysis , 1972 .
[93] S. Srinivasula,et al. Mechanism of XIAP-mediated inhibition of caspase-9. , 2003, Molecular cell.
[94] M. Millot. Separation of drug enantiomers by liquid chromatography and capillary electrophoresis, using immobilized proteins as chiral selectors. , 2003, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[95] Julie McMurry,et al. Immuno‐informatics: Mining genomes for vaccine components , 2002, Immunology and cell biology.
[96] R. Meadows,et al. X-ray and NMR structure of human Bcl-xL, an inhibitor of programmed cell death , 1996, Nature.
[97] Walter A. Korfmacher,et al. Simultaneous determination of a drug candidate and its metabolite in rat plasma samples using ultrafast monolithic column high-performance liquid chromatography/tandem mass spectrometry. , 2002, Rapid communications in mass spectrometry : RCM.
[98] A. Leach. Molecular Modelling: Principles and Applications , 1996 .
[99] T. H. Mclean,et al. Sulfur-substituted alpha-alkyl phenethylamines as selective and reversible MAO-A inhibitors: biological activities, CoMFA analysis, and active site modeling. , 2005, Journal of medicinal chemistry.
[100] S. Sebti,et al. Terphenyl-based helical mimetics that disrupt the p53/HDM2 interaction. , 2005, Angewandte Chemie.
[101] S. Fields,et al. A novel genetic system to detect proteinprotein interactions , 1989, Nature.
[102] J. Sherma,et al. Development and validation of a high-performance thin-layer chromatographic method with densitometric detection for determination of bisacodyl in pharmaceutical tablets , 2003 .
[103] Paul W Erhardt. A human drug metabolism database: potential roles in the quantitative predictions of drug metabolism and metabolism-related drug-drug interactions. , 2003, Current drug metabolism.
[104] M. Jemal,et al. Liquid chromatography-tandem mass spectrometric quantitative determination of the HIV protease inhibitor atazanavir (BMS-232632) in human peripheral blood mononuclear cells (PBMC): practical approaches to PBMC preparation and PBMC assay design for high-throughput analysis. , 2003, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[105] D. Wu,et al. High throughput liquid chromatography/mass spectrometry bioanalysis using 96-well disk solid phase extraction plate for the sample preparation. , 1998, Rapid communications in mass spectrometry : RCM.
[106] K. Imai,et al. Monoclonal antibodies as effective therapeutic agents for solid tumors , 2004, Cancer science.
[107] G. Scriba. Selected fundamental aspects of chiral electromigration techniques and their application to pharmaceutical and biomedical analysis. , 2002, Journal of pharmaceutical and biomedical analysis.
[108] A E Howard,et al. An analysis of current methodologies for conformational searching of complex molecules. , 1988, Journal of medicinal chemistry.
[109] Neha S. Gandhi,et al. 3D QSAR studies of N-4-arylacryloylpiperazin-1-yl-phenyl-oxazolidinones: a novel class of antibacterial agents. , 2006, Bioorganic & Medicinal Chemistry Letters.
[110] M. Levitt,et al. The complexity and accuracy of discrete state models of protein structure. , 1995, Journal of molecular biology.
[111] Hans-Joachim Böhm,et al. The computer program LUDI: A new method for the de novo design of enzyme inhibitors , 1992, J. Comput. Aided Mol. Des..
[112] Steven Fletcher,et al. Protein surface recognition and proteomimetics: mimics of protein surface structure and function. , 2005, Current opinion in chemical biology.
[113] J. Veuthey,et al. Column-Switching Procedures for the Fast Analysis of Drugs in Biologic Samples , 2004, Therapeutic drug monitoring.
[114] M. Murcko,et al. GroupBuild: a fragment-based method for de novo drug design. , 1993, Journal of medicinal chemistry.
[115] A. Rizzi. Fundamental aspects of chiral separations by capillary electrophoresis , 2001, Electrophoresis.
[116] W. M. Haynes. CRC Handbook of Chemistry and Physics , 1990 .
[117] Yuan-qing Xia,et al. Ternary-column system for high-throughput direct-injection bioanalysis by liquid chromatography/tandem mass spectrometry. , 2000, Rapid communications in mass spectrometry : RCM.
[118] James Robinson,et al. IMGT/HLA and IMGT/MHC: sequence databases for the study of the major histocompatibility complex , 2003, Nucleic Acids Res..
[119] C. Gaeta,et al. Transglutaminase surface recognition by peptidocalix[4]arene diversomers , 2005 .
[120] Gopi Shankar,et al. Scientific and regulatory considerations on the immunogenicity of biologics. , 2006, Trends in biotechnology.
[121] E. Sahai,et al. RHO–GTPases and cancer , 2002, Nature Reviews Cancer.
[122] Min Zhang,et al. Structure-based optimization of azole antifungal agents by CoMFA, CoMSIA, and molecular docking. , 2006, Journal of medicinal chemistry.
[123] David C. Van Essen,et al. Windows on the brain: the emerging role of atlases and databases in neuroscience , 2002, Current Opinion in Neurobiology.
[124] N. Jing,et al. Targeting Stat3 in cancer therapy. , 2005, Anti-cancer drugs.
[125] P. Dupont,et al. Quantitative distribution studies in animals: cross-validation of radioluminography versus liquid-scintillation measurement. , 2000, Regulatory toxicology and pharmacology : RTP.
[126] J. Matthews,et al. Protein-protein interactions in human disease. , 2005, Current opinion in structural biology.
[127] J. Kim,et al. Discovery of a novel antitumor benzolactone enamide class that selectively inhibits mammalian vacuolar-type (H+)-atpases. , 2001, The Journal of pharmacology and experimental therapeutics.
[128] T. Dragic,et al. CD81 is an entry coreceptor for hepatitis C virus. , 2004, Proceedings of the National Academy of Sciences of the United States of America.
[129] M. Botchan,et al. The X-ray structure of the papillomavirus helicase in complex with its molecular matchmaker E2. , 2004, Genes & development.
[130] R. F. Tetzlaff,et al. Validation of computerized liquid chromatographic systems , 1994 .
[131] D. Chao,et al. BCL-2 family: regulators of cell death. , 1998, Annual review of immunology.
[132] J. Henion,et al. Atmospheric pressure ionization LC/MS/MS techniques for drug disposition studies. , 1998, Journal of pharmaceutical sciences.
[133] H R Hoogenboom,et al. Antibody phage display technology and its applications. , 1998, Immunotechnology : an international journal of immunological engineering.
[134] D. Hockenbery,et al. Promises and challenges of targeting Bcl-2 anti-apoptotic proteins for cancer therapy. , 2004, Biochimica et biophysica acta.
[135] M. De Meulder,et al. Development and validation of a liquid chromatographic-tandem mass spectrometric method for the determination of galantamine in human heparinised plasma. , 2003, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[136] T. Baillie,et al. Drug metabolites in safety testing. , 2002, Toxicology and applied pharmacology.
[137] K. Allen,et al. Replacement of immunoassay by LC tandem mass spectrometry for the routine measurement of drugs of abuse in oral fluid , 2005, Annals of clinical biochemistry.
[138] M. Hutta,et al. Role of biological matrices during the analysis of chiral drugs by liquid chromatography. , 2003, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[139] A. Griffiths,et al. Strategies for selection of antibodies by phage display. , 1998, Current opinion in biotechnology.
[140] E. Dickson,et al. Neutron-activation analysis: a novel method for the assay of iohexol. , 2003, The Journal of laboratory and clinical medicine.
[141] J. R. Huth,et al. Discovery of novel inhibitors of Bcl-xL using multiple high-throughput screening platforms. , 2004, Analytical biochemistry.
[142] S. Korsmeyer,et al. Activation of Apoptosis in Vivo by a Hydrocarbon-Stapled BH3 Helix , 2004, Science.
[143] R. D'argy,et al. Quantitative whole-body radioluminography-future strategy for balance and tissue distribution studies. , 2000, Regulatory toxicology and pharmacology : RTP.
[144] W. Naidong,et al. Analysis of omeprazole and 5-OH omeprazole in human plasma using hydrophilic interaction chromatography with tandem mass spectrometry (HILIC-MS/MS)--eliminating evaporation and reconstitution steps in 96-well liquid/liquid extraction. , 2006, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[145] H. Böhm,et al. A novel computational tool for automated structure‐based drug design , 1993, Journal of molecular recognition : JMR.
[146] Christian von Mering,et al. STRING: a database of predicted functional associations between proteins , 2003, Nucleic Acids Res..
[147] C. Lipinski. Drug-like properties and the causes of poor solubility and poor permeability. , 2000, Journal of pharmacological and toxicological methods.
[148] R. Clement,et al. Validation and application of a liquid chromatography-tandem mass spectrometric method for the determination of SCH 211803 in rat and monkey plasma using automated 96-well protein precipitation. , 2004, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[149] M. Doddareddy,et al. Hologram quantitative structure activity relationship studies on 5-HT6 antagonists. , 2004, Bioorganic & medicinal chemistry.
[150] N. Srinivas. Simultaneous chiral analyses of multiple analytes: case studies, implications and method development considerations. , 2004, Biomedical chromatography : BMC.
[151] R. Cortese,et al. Cell Entry of Hepatitis C Virus Requires a Set of Co-receptors That Include the CD81 Tetraspanin and the SR-B1 Scavenger Receptor* , 2003, Journal of Biological Chemistry.
[152] Sherry Wang,et al. Does a stable isotopically labeled internal standard always correct analyte response? A matrix effect study on a LC/MS/MS method for the determination of carvedilol enantiomers in human plasma. , 2007, Journal of pharmaceutical and biomedical analysis.
[153] T. Olah,et al. The effects of sample preparation methods on the variability of the electrospray ionization response for model drug compounds. , 1999, Rapid communications in mass spectrometry : RCM.
[154] F. Tse,et al. Liquid-liquid extraction using 96-well plate format in conjunction with liquid chromatography/tandem mass spectrometry for quantitative determination of methylphenidate (Ritalin) in human plasma. , 2000, Rapid communications in mass spectrometry : RCM.
[155] Mike Tyers,et al. The GRID: The General Repository for Interaction Datasets , 2003, Genome Biology.
[156] G A Burns,et al. Knowledge management of the neuroscientific literature: the data model and underlying strategy of the NeuroScholar system. , 2001, Philosophical transactions of the Royal Society of London. Series B, Biological sciences.
[157] J. Visvader,et al. Tandem LIM domains provide synergistic binding in the LMO4:Ldb1 complex , 2004, The EMBO journal.
[158] Binodh DeSilva,et al. Bioanalytical Method Validation for Macromolecules in Support of Pharmacokinetic Studies , 2005, Pharmaceutical Research.
[159] Samuel H. Gellman,et al. Rational Development of β-Peptide Inhibitors of Human Cytomegalovirus Entry* , 2006, Journal of Biological Chemistry.
[160] M. Satia,et al. High-performance thin-layer chromatographic method for the detection and determination of lansoprazole in human plasma and its use in pharmacokinetic studies. , 1997, Journal of Chromatography B: Biomedical Sciences and Applications.
[161] Joseph Sneddon,et al. A practical guide to graphite furnace atomic absorption spectrometry , 1998 .
[162] Adriano D Andricopulo,et al. Hologram quantitative structure-activity relationships for a series of farnesoid X receptor activators. , 2005, Bioorganic & medicinal chemistry letters.
[163] J M Blaney,et al. A geometric approach to macromolecule-ligand interactions. , 1982, Journal of molecular biology.
[164] J. Adamovics. Chromatographic Analysis of Pharmaceuticals , 1996 .
[165] Perry L. Miller,et al. The Human Brain Project: neuroinformatics tools for integrating, searching and modeling multidisciplinary neuroscience data , 1998, Trends in Neurosciences.
[166] M. F. Silva,et al. Metal content monitoring in Hypericum perforatum pharmaceutical derivatives by atomic absorption and emission spectrometry. , 2004, Journal of pharmaceutical and biomedical analysis.
[167] J. T. Wu,et al. High-speed liquid chromatography/tandem mass spectrometry using a monolithic column for high-throughput bioanalysis. , 2001, Rapid communications in mass spectrometry : RCM.
[168] E. Jones,et al. Anti-ovalbumin monoclonal antibodies interact with their antigen in internal membranes of Xenopus oocytes , 1982, Nature.
[169] G. Vas,et al. Solid-phase microextraction: a powerful sample preparation tool prior to mass spectrometric analysis. , 2004, Journal of mass spectrometry : JMS.
[170] Wilson Z Shou,et al. Liquid chromatography/tandem mass spectrometric bioanalysis using normal-phase columns with aqueous/organic mobile phases - a novel approach of eliminating evaporation and reconstitution steps in 96-well SPE. , 2002, Rapid communications in mass spectrometry : RCM.
[171] Andrew D. Hamilton,et al. Terphenyl-Based Bak BH3 α-Helical Proteomimetics as Low-Molecular-Weight Antagonists of Bcl-xL , 2005 .
[172] Qiang Zhang,et al. Discovery of novel triazole-based opioid receptor antagonists. , 2006, Journal of medicinal chemistry.
[173] Paul A. Bartlett,et al. CAVEAT: A program to facilitate the design of organic molecules , 1994, J. Comput. Aided Mol. Des..
[174] H. Koh,et al. Current trends in modern pharmaceutical analysis for drug discovery. , 2003, Drug discovery today.
[175] R. Altmeyer. Virus attachment and entry offer numerous targets for antiviral therapy. , 2004, Current pharmaceutical design.
[176] Clemencia Pinilla,et al. Small-molecule antagonists of apoptosis suppressor XIAP exhibit broad antitumor activity. , 2004, Cancer cell.
[177] J. Baseman,et al. The epidemiology of human papillomavirus infections. , 2005, Journal of clinical virology : the official publication of the Pan American Society for Clinical Virology.
[178] J Pauwels,et al. k0-NAA, a valuable tool for reference-material producers , 2001, Fresenius' journal of analytical chemistry.
[179] H. Lingeman,et al. Derivatization in capillary electrophoresis. , 1998, Journal of chromatography. A.
[180] L. Vassilev,et al. In Vivo Activation of the p53 Pathway by Small-Molecule Antagonists of MDM2 , 2004, Science.
[181] H. Cai,et al. High-throughput high-performance liquid chromatography/mass spectrometry for modern drug discovery. , 2001, Current opinion in biotechnology.
[182] B. Welz. Atomic absorption spectrometry , 1985 .
[183] George S. Hammond,et al. A Correlation of Reaction Rates , 1955 .
[184] B. Graves,et al. Small molecule inhibitors of p53/MDM2 interaction. , 2005, Current topics in medicinal chemistry.
[185] M. Lee,et al. LC/MS applications in drug development. , 2002, Mass spectrometry reviews.
[186] G. Tucker. Integrins: Molecular targets in cancer therapy , 2006, Current oncology reports.
[187] Fa-mei Li,et al. Chemiluminescence detection in HPLC and CE for pharmaceutical and biomedical analysis. , 2003, Biomedical chromatography : BMC.
[188] Yong Wang,et al. Crystal Structure of the E2 Transactivation Domain of Human Papillomavirus Type 11 Bound to a Protein Interaction Inhibitor* , 2004, Journal of Biological Chemistry.
[189] C. Parini,et al. Novel bone antiresorptive agents that selectively inhibit the osteoclast V-H+-ATPase. , 2001, Farmaco.
[190] Shaomeng Wang,et al. Structure-based design of potent, conformationally constrained Smac mimetics. , 2004, Journal of the American Chemical Society.
[191] A. Hopkins,et al. Navigating chemical space for biology and medicine , 2004, Nature.
[192] Martin Saunders,et al. Stochastic search for the conformations of bicyclic hydrocarbons , 1989 .
[193] S. Ahuja. Derivatization in gas chromatography. , 1976, Journal of pharmaceutical sciences.
[194] S. Haswell,et al. Atomic absorption spectrometry: theory, design and applications. , 1991 .
[195] Roland L. Dunbrack,et al. Conformational analysis of the backbone-dependent rotamer preferences of protein sidechains , 1994, Nature Structural Biology.
[196] G. Warren,et al. Microinjection of mRNA coding for an anti-golgi antibody inhibits intracellular transport of a viral membrane protein , 1984, Cell.
[197] O. Mekenyan,et al. The COREPA approach to lead generation: an application to ACE-inhibitors , 1999 .
[198] T. Clackson,et al. Making antibody fragments using phage display libraries , 1991, Nature.
[199] E. Alnemri,et al. Cell permeable Bcl-2 binding peptides: a chemical approach to apoptosis induction in tumor cells. , 2000, Cancer research.
[200] R. Natesh,et al. Crystal structure of the human angiotensin-converting enzyme–lisinopril complex , 2003, Nature.
[201] K. Wanner,et al. Methods and Principles in Medicinal Chemistry , 2007 .
[202] James L. Little,et al. Liquid chromatography-mass spectrometry/mass spectrometry method development for drug metabolism studies: Examining lipid matrix ionization effects in plasma. , 2006, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[203] H. Hausen. Papillomaviruses and cancer: from basic studies to clinical application , 2002, Nature Reviews Cancer.
[204] H. Lingeman,et al. Pre‐, on‐ and post‐column derivatization in capillary electrophoresis , 1997, Electrophoresis.
[205] Tudor I. Oprea,et al. Chemoinformatics in drug discovery , 2005 .
[206] R. Meadows,et al. Structure of Bcl-xL-Bak Peptide Complex: Recognition Between Regulators of Apoptosis , 1997, Science.
[207] S. Vancompernolle,et al. Small molecule inhibition of hepatitis C virus E2 binding to CD81. , 2003, Virology.
[208] Jeremy Kenseth,et al. High-throughput multiplexed capillary electrophoresis in drug discovery. , 2004, Drug discovery today.
[209] Shaomeng Wang,et al. Chimeric (α/β + α)-Peptide Ligands for the BH3-Recognition Cleft of Bcl-xL: Critical Role of the Molecular Scaffold in Protein Surface Recognition , 2005 .
[210] Eleanor J. Gardiner,et al. Clique-detection algorithms for matching three-dimensional molecular structures. , 1997, Journal of molecular graphics & modelling.
[211] M. Karelson,et al. Quantum-Chemical Descriptors in QSAR/QSPR Studies. , 1996, Chemical reviews.
[212] Hans-Jürgen Federsel,et al. Asymmetry on large scale: the roadmap to stereoselective processes , 2005, Nature Reviews Drug Discovery.
[213] Lemont B. Kier,et al. A Shape Index from Molecular Graphs , 1985 .
[214] W. Howe,et al. Computer design of bioactive molecules: A method for receptor‐based de novo ligand design , 1991, Proteins.
[215] M. Satia,et al. Plasma analysis of celiprolol by HPTLC: a useful technique for pharmacokinetic studies. , 2001, Journal of AOAC International.
[216] L. G. Davis,et al. Basic methods in molecular biology , 1986 .
[217] A. Petros,et al. Structural biology of the Bcl-2 family of proteins. , 2004, Biochimica et biophysica acta.
[218] A. Balaban. Highly discriminating distance-based topological index , 1982 .
[219] Joshua A. Kritzer,et al. Helical β-Peptide Inhibitors of the p53-hDM2 Interaction , 2004 .
[220] Eric Klinenberg. Inside the Box , 2002 .
[221] R. Doms,et al. The entry of entry inhibitors: A fusion of science and medicine , 2003, Proceedings of the National Academy of Sciences of the United States of America.
[222] Hua Li,et al. CoMFA, CoMSIA, and Molecular Hologram QSAR Studies of Novel Neuronal nAChRs Ligands-Open Ring Analogues of 3-Pyridyl Ether , 2005, J. Chem. Inf. Model..
[223] Matthew Clark,et al. Generalized Fragment-Substructure Based Property Prediction Method , 2005, J. Chem. Inf. Model..
[224] T. McDonnell,et al. Inhibition of JAK3 induces apoptosis and decreases anaplastic lymphoma kinase activity in anaplastic large cell lymphoma , 2003, Oncogene.
[225] N. Danielson,et al. Pre- and postcolumn derivatization chemistry in conjunction with HPLC for pharmaceutical analysis. , 1988, Journal of chromatographic science.
[226] Vinod P. Shah,et al. Bioanalytical Method Validation—A Revisit with a Decade of Progress , 2000, Pharmaceutical Research.
[227] James L. Little,et al. Artifacts in trimethylsilyl derivatization reactions and ways to avoid them. , 1999, Journal of chromatography. A.
[228] Jaroslaw Polanski,et al. The Comparative Molecular Surface Analysis (COMSA): A Novel Tool for Molecular Design , 2000, Comput. Chem..
[229] J. Haginaka. Pharmaceutical and biomedical applications of enantioseparations using liquid chromatographic techniques. , 2002, Journal of pharmaceutical and biomedical analysis.
[230] N. Rajurkar,et al. Analysis of some herbal plants from India used in the control of diabetes mellitus by NAA and AAS techniques. , 1997, Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine.
[231] Thomas R Gadek,et al. Strategies and methods in the identification of antagonists of protein-protein interactions. , 2003, BioTechniques.
[232] A. Shalaby,et al. Spectrophotometric and AAS determination of ramipril and enalapril through ternary complex formation. , 2002, Journal of pharmaceutical and biomedical analysis.
[233] Marie-Paule Lefranc,et al. IMGT, the international ImMunoGeneTics database , 2001, Nucleic Acids Res..
[234] David J Newman,et al. Natural products as sources of new drugs over the period 1981-2002. , 2003, Journal of natural products.
[235] W. Roth,et al. Fully automated high-performance liquid chromatography. A new chromatograph for pharmacokinetic drug monitoring by direct injection of body fluids. , 1981, Journal of chromatography.
[236] M. Randic. Characterization of molecular branching , 1975 .
[237] G M Pearl,et al. Integration of computational analysis as a sentinel tool in toxicological assessments. , 2001, Current topics in medicinal chemistry.
[238] Determination of the in vivo pharmacokinetics of palladium-bacteriopheophorbide (WST09) in EMT6 tumour-bearing Balb/c mice using graphite furnace atomic absorption spectroscopy. , 2004, Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.
[239] M D Barratt,et al. The computational prediction of toxicity. , 2001, Current opinion in chemical biology.
[240] S M Hubbard,et al. The Cancer Informatics Infrastructure: a new initiative of the National Cancer Institute. , 2001, Seminars in oncology nursing.
[241] J. Dědina,et al. Hydride Generation Atomic Absorption Spectrometry , 1995 .
[242] A. Petros,et al. Rationale for Bcl‐XL/Bad peptide complex formation from structure, mutagenesis, and biophysical studies , 2000, Protein science : a publication of the Protein Society.
[243] John L. Sullivan,et al. Angiotensin-converting enzyme 2 is a functional receptor for the SARS coronavirus , 2003, Nature.
[244] John Aurie Dean,et al. Instrumental methods of analysis , 1951 .
[245] H Briem,et al. Multiple-conformation and protonation-state representation in 4D-QSAR: the neurokinin-1 receptor system. , 2000, Journal of medicinal chemistry.
[246] R. Gorter,et al. Examination of the Cutaneous Absorption of Copper After the Use of Copper-Containing Ointments , 2004, American journal of therapeutics.
[247] Sui Yung Chan,et al. Monitoring drug-protein interaction. , 2006, Clinica chimica acta; international journal of clinical chemistry.
[248] G. O’Connor,et al. Development of a liquid chromatography-mass spectrometry method for the high-accuracy determination of creatinine in serum. , 2003, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[249] K D Altria,et al. Overview of the status and applications of capillary electrophoresis to the analysis of small molecules. , 2004, Journal of chromatography. A.
[250] Valerie J. Gillet,et al. SPROUT: A program for structure generation , 1993, J. Comput. Aided Mol. Des..
[251] Z. Ouyang,et al. A strategy for a post-method-validation use of incurred biological samples for establishing the acceptability of a liquid chromatography/tandem mass-spectrometric method for quantitation of drugs in biological samples. , 2002, Rapid communications in mass spectrometry : RCM.
[252] Johann Gasteiger,et al. A new model for calculating atomic charges in molecules , 1978 .
[253] Shaomeng Wang,et al. Structure-based design, synthesis, and evaluation of conformationally constrained mimetics of the second mitochondria-derived activator of caspase that target the X-linked inhibitor of apoptosis protein/caspase-9 interaction site. , 2004, Journal of medicinal chemistry.
[254] T. Pinkerton,et al. Characterization of internal surface reversed-phase silica supports for liquid chromatography. , 1985, Journal of chromatography.
[255] Shridhar R. Gadre,et al. Electrostatics of Atoms and Molecules , 2001 .
[256] Tatiana Nikolskaya,et al. Modeling of human cytochrome p450-mediated drug metabolism using unsupervised machine learning approach. , 2003, Journal of medicinal chemistry.
[257] A. Cavalli,et al. Linking CoMFA and protein homology models of enzyme-inhibitor interactions: an application to non-steroidal aromatase inhibitors. , 2000, Bioorganic & medicinal chemistry.
[258] Louise Thauvette,et al. Inhibition of Human Papillomavirus DNA Replication by Small Molecule Antagonists of the E1-E2 Protein Interaction* , 2003, Journal of Biological Chemistry.
[259] Chi-Ying F. Huang,et al. Identification of the Substrates and Interaction Proteins of Aurora Kinases from a Protein-Protein Interaction Model * S , 2004, Molecular & Cellular Proteomics.
[260] Jerry Goodisman,et al. Analysis of cytotoxicities of platinum compounds , 2005, Cancer Chemotherapy and Pharmacology.
[261] Kenneth R Wehmeyer,et al. Semi-automated liquid--liquid back-extraction in a 96-well format to decrease sample preparation time for the determination of dextromethorphan and dextrorphan in human plasma. , 2002, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[262] P. Taylor. Matrix effects: the Achilles heel of quantitative high-performance liquid chromatography-electrospray-tandem mass spectrometry. , 2005, Clinical biochemistry.
[263] P. Goodford. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. , 1985, Journal of medicinal chemistry.
[264] S. Hammond,et al. Negative regulatory elements are present in the human LMO2 oncogene and may contribute to its expression in leukemia. , 2005, Leukemia research.
[265] Chunsheng Yin,et al. Holographic QSAR of selected esters. , 2004, Chemosphere.
[266] Danail Bonchev,et al. Information theoretic indices for characterization of chemical structures , 1983 .
[267] Suzanne Cory,et al. The Bcl-2 family: roles in cell survival and oncogenesis , 2003, Oncogene.
[268] P. Sprague. Automated chemical hypothesis generation and database searching with Catalyst , 1995 .
[269] Jamie Goode,et al. Immunoinformatics: Bioinformatic Strategies for Better Understanding of Immune Function , 2003 .
[270] Scott Gustafson,et al. caCORE: A common infrastructure for cancer informatics , 2003, Bioinform..
[271] 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.
[272] A. Amini. Recent developments in chiral capillary electrophoresis and applications of this technique to pharmaceutical and biomedical analysis , 2001, Electrophoresis.
[273] H. Salem,et al. Colourimetric and AAS determination of cephalosporins using Reineck's salt. , 2002, Journal of pharmaceutical and biomedical analysis.
[274] Takeshi Fukushima,et al. Recent progress in derivatization methods for LC and CE analysis. , 2003, Journal of pharmaceutical and biomedical analysis.
[275] J. Buolamwini,et al. Receptor-guided alignment-based comparative 3D-QSAR studies of benzylidene malonitrile tyrphostins as EGFR and HER-2 kinase inhibitors. , 2003, Journal of medicinal chemistry.
[276] René Holm,et al. Successful in silico predicting of intestinal lymphatic transfer. , 2004, International journal of pharmaceutics.
[277] D. Dimitrov,et al. Virus entry: molecular mechanisms and biomedical applications , 2004, Nature Reviews Microbiology.
[278] J. Tai,et al. Stability and cytotoxicity of gambogic acid and its derivative, gambogoic acid. , 2005, Biological & pharmaceutical bulletin.
[279] Kam Y. J. Zhang,et al. Antimycin A mimics a cell-death-inducing Bcl-2 homology domain 3 , 2001, Nature Cell Biology.
[280] Hans-Joachim Böhm,et al. The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure , 1994, J. Comput. Aided Mol. Des..
[281] A. Petros,et al. Solution structure of the antiapoptotic protein bcl-2 , 2001, Proceedings of the National Academy of Sciences of the United States of America.
[282] J. Visvader,et al. LIM‐domain‐binding protein 1: a multifunctional cofactor that interacts with diverse proteins , 2003, EMBO reports.
[283] Bradley L Ackermann,et al. Recent advances in use of LC/MS/MS for quantitative high-throughput bioanalytical support of drug discovery. , 2002, Current topics in medicinal chemistry.
[284] Zbigniew Dauter,et al. Molecular basis of agonism and antagonism in the oestrogen receptor , 1997, Nature.
[285] S. Cory,et al. The Bcl-2 protein family: arbiters of cell survival. , 1998, Science.
[286] Karen Brown,et al. Applications of accelerator mass spectrometry for pharmacological and toxicological research. , 2006, Mass spectrometry reviews.
[287] B D Silverman,et al. Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition. , 1996, Journal of medicinal chemistry.
[288] D. Morgan,et al. Analysis of intracellular protein function by antibody injection. , 1988, Immunology today.
[289] W. Zeng,et al. A direct injection high-throughput liquid chromatography tandem mass spectrometry method for the determination of a new orally active alphavbeta3 antagonist in human urine and dialysate. , 2003, Rapid communications in mass spectrometry : RCM.
[290] Reino Laatikainen,et al. Comparing the Performance of FLUFF-BALL to SEAL-CoMFA with a Large Diverse Estrogen Data Set: From Relevant Superpositions to Solid Predictions , 2005, J. Chem. Inf. Model..
[291] A. Lansdown,et al. Silver absorption and antibacterial efficacy of silver dressings. , 2005, Journal of Wound Care.
[292] H. Hosoya. Topological Index. A Newly Proposed Quantity Characterizing the Topological Nature of Structural Isomers of Saturated Hydrocarbons , 1971 .
[293] J. Jasper,et al. Quantitative estimates of precision for molecular isotopic measurements. , 2001, Rapid communications in mass spectrometry : RCM.
[294] L. Felder,et al. Determination of ketoconazole in human plasma by high-performance liquid chromatography-tandem mass spectrometry. , 2002, Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
[295] T. Rabbitts,et al. Intracellular antibodies and challenges facing their use as therapeutic agents. , 2003, Trends in molecular medicine.
[296] F. J. Holler,et al. Principles of Instrumental Analysis , 1973 .
[297] B. Matuszewski,et al. Determination of rofecoxib (MK-0966), a cyclooxygenase-2 inhibitor, in human plasma by high-performance liquid chromatography with tandem mass spectrometric detection. , 2000, Journal of chromatography. B, Biomedical sciences and applications.
[298] E. Isacoff,et al. Protein surface recognition by rational design: nanomolar ligands for potassium channels. , 2003, Journal of the American Chemical Society.
[299] Guillermo Moyna,et al. Shape signatures: a new approach to computer-aided ligand- and receptor-based drug design. , 2003, Journal of medicinal chemistry.
[300] A. Hamilton,et al. Tetrabiphenylporphyrin-based receptors for protein surfaces show sub-nanomolar affinity and enhance unfolding. , 2003, Bioorganic & medicinal chemistry letters.
[301] Lemont B. Kier,et al. New predictors for several ADME/Tox properties: Aqueous solubility, human oral absorption, and Ames genotoxicity using topological descriptors , 2004, Molecular Diversity.
[302] William J Welsh,et al. Shape Signatures: speeding up computer aided drug discovery. , 2006, Drug discovery today.
[303] Marie-Paule Lefranc,et al. IMGT-ONTOLOGY and IMGT databases, tools and Web resources for immunogenetics and immunoinformatics. , 2004, Molecular immunology.
[304] Andrew R. Leach,et al. An Introduction to Chemoinformatics , 2003 .
[305] Jérôme Lane,et al. IMGT®, the international ImMunoGeneTics information system® , 2004, Nucleic Acids Res..
[306] G. Caron,et al. A combined in silico strategy to describe the variation of some 3D molecular properties of beta-cyclodextrin due to the formation of inclusion complexes. , 2006, Journal of molecular graphics & modelling.
[307] W. D. Ehmann,et al. Radiochemistry and nuclear methods of analysis , 1991 .
[308] Andreas Plückthun,et al. In-vitro protein evolution by ribosome display and mRNA display. , 2004, Journal of immunological methods.
[309] Luis E Sojo,et al. Internal standard signal suppression by co-eluting analyte in isotope dilution LC-ESI-MS. , 2003, The Analyst.
[310] W. Shou,et al. Development and validation of a liquid chromatography/tandem mass spectrometry (LC/MS/MS) method for the determination of ribavirin in human plasma and serum. , 2002, Journal of pharmaceutical and biomedical analysis.
[311] G. Subbaraju,et al. Estimation of trans-resveratrol in herbal extracts and dosage forms by high-performance thin-layer chromatography. , 2005, Chemical & pharmaceutical bulletin.
[312] Daisuke Kihara,et al. Bioinformatics resources for cancer research with an emphasis on gene function and structure prediction tools , 2006, Cancer informatics.
[313] Bernard Chazelle,et al. Matching 3D models with shape distributions , 2001, Proceedings International Conference on Shape Modeling and Applications.