NMR in Pharmaceutical Science

Jeremy R. Everett, Ph.D., Department of Pharmaceutical, Chemical & Environmental Sciences, University of Greenwich, UKJohn C. Lindon, Ph.D., Imperial College London, UKIan D. Wilson, Ph.D., Imperial College London, UKRobin Harris, Ph.D., Department of Chemistry, University of Durham, UK

• Contributors xiSeries Preface xviiPreface xixPart A: Introduction 11 Drug Discovery and Development: The Role of NMRJeremy R. Everett 3Part B: NMR Theory & Experimental Methods 212 Modern NMR Pulse Sequences in Pharmaceutical R&DJohn A. Parkinson 233 Experimental NMR Methods for Pharmaceutical Research and DevelopmentAnthony C. Dona 414 19F NMR Spectroscopy: Applications in Pharmaceutical StudiesJohn C. Lindon and Ian D. Wilson 535 Quantitative NMR Spectroscopy in Pharmaceutical R&DUlrike Holzgrabe 636 High-throughput NMR in Pharmaceutical R&DJohn C. Hollerton 797 Multivariate Data Analysis Methods for NMR-based Metabolic Phenotyping in Pharmaceutical and Clinical ResearchKirill A. Veselkov, James S. McKenzie, and Jeremy K. Nicholson 89Part C: Idea to Lead 1038 The Role of NMR in Target Identification and Validation for Pharmaceutical R&DKrishna Saxena and Harald Schwalbe 1059 High-resolution MAS NMR of Tissues and CellsLeo L. Cheng 11710 NMR Studies of Inborn Errors of MetabolismSarantos Kostidis and Emmanuel Mikros 13111 NMR-based Structure Confirmation of Hits and Leads in Pharmaceutical R&DPhilip J. Sidebottom 14712 Fragment-based Drug Design Using NMR MethodsLeonor Puchades-Carrasco and Antonio Pineda-Lucena 15513 Hit Discovery from Natural Products in Pharmaceutical R&DOlivia Corcoran 173Part D: Lead to Drug Candidate 18314 NMR-based Structure Determination of Drug Leads and CandidatesTorren M. Peakman 18515 Mixture Analysis in Pharmaceutical R&D Using Hyphenated NMR TechniquesIan D. Wilson and John C. Lindon 19716 Conformation and Stereochemical Analysis of Drug MoleculesGary J. Sharman 20717 NMR Methods for the Assignment of Absolute Stereochemistry of Bioactive CompoundsJose M. Seco and Ricardo Riguera 22118 Applications of Preclinical MRI/MRS in the Evaluation of Drug Efficacy and SafetyThomas M. Bocan, Lauren Keith, and David M. Thomasson 25519 Practical Applications of NMR Spectroscopy in Preclinical Drug Metabolism StudiesRaman Sharma and Gregory S. Walker 26720 Preclinical Drug Efficacy and Safety Using NMR SpectroscopyMuireann Coen and Ian D. Wilson 28121 Characterization of Pharmaceutical Compounds by Solid-state NMRFrederick G. Vogt 29722 Structure-based Drug Design Using NMRMark Jeeves, Lee Quill, and Michael Overduin 31723 Pharmaceutical Technology Studied by MRIDavid G. Reid and Stephen J. Byard 331Part E: Clinical Development 34524 NMR-based Metabolic Phenotyping for Disease Diagnosis and StratificationBeatriz Jiménez 34725 NMR-based Pharmacometabonomics: A New Approach to Personalized MedicineJeremy R. Everett 35926 Clinical MRI Studies of Drug Efficacy and SafetyDavid G. Reid, Paul D. Hockings, and Nadeem Saeed 37327 The Role of NMR in the Protection of Intellectual Property in Pharmaceutical R&DFrederick G. Vogt 385Part F: Drug Manufacture 39528 Analysis of Counterfeit Medicines and Adulterated Dietary Supplements by NMRMyriam Malet-Martino and Robert Martino 39729 Pharmaceutical Industry: Regulatory Control and Impact on NMR SpectroscopyAndrea Ruggiero and Sarah K. Branch 41330 NMR Spectroscopy in the European and US PharmacopeiasHelen Corns and Sarah K. Branch 42531 NMR in Pharmaceutical ManufacturingEdwin Kellenbach and Paulo Dani 441Index 453

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