{"product_id":"physicochemical-and-biomimetic-properties-in-drug-discovery-9781118152126","title":"Physicochemical and Biomimetic Properties in Drug","description":"\u003cb\u003eBook Synopsis\u003c\/b\u003e\u003cbr\u003e\u003cp\u003eDemonstrating how and why to measure physicochemical and biomimetic properties in early stages of drug discovery for lead optimization, \u003ci\u003ePhysicochemical and Biomimetic Properties in Drug Discovery\u003c\/i\u003e encourages readers to discover relationships between various measurements and develop a sense of interdisciplinary thinking that will add to new research in drug discovery. This practical guide includes detailed descriptions of state-of-the-art chromatographic techniques and uses real-life examples and models to help medicinal chemists and scientists and advanced graduate students apply measurement data for optimal drug discovery.\u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eTrade Review\u003c\/b\u003e\u003cbr\u003e\u003cp\u003e“This is one of those books that will not gather dust on the shelf (barring an epochal revolution in the field) because it will be a constant point of reference for established scientists participating in multidisciplinary pharmaceutical research teams or those who wish to establish themselves in this area.”  (\u003ci\u003eDoody’s\u003c\/i\u003e, 16 January 2015)\u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eTable of Contents\u003c\/b\u003e\u003cbr\u003e\u003cp\u003e\u003cb\u003ePreface xi\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003cb\u003e1 The Drug Discovery Process 1\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eSummary 7\u003c\/p\u003e \u003cp\u003eQuestion for Review 7\u003c\/p\u003e \u003cp\u003eReferences 7\u003c\/p\u003e \u003cp\u003e\u003cb\u003e2 Drug-Likeness and Physicochemical Property Space of Known Drugs 9\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eSummary 12\u003c\/p\u003e \u003cp\u003eQuestions for Review 13\u003c\/p\u003e \u003cp\u003eReferences 13\u003c\/p\u003e \u003cp\u003e\u003cb\u003e3 Basic Pharmacokinetic Properties 15\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eAbsorption 17\u003c\/p\u003e \u003cp\u003ePlasma Protein Binding 20\u003c\/p\u003e \u003cp\u003eDistribution 22\u003c\/p\u003e \u003cp\u003eVolume of Distribution 23\u003c\/p\u003e \u003cp\u003eUnbound Volume of Distribution 29\u003c\/p\u003e \u003cp\u003eHalf-Life 30\u003c\/p\u003e \u003cp\u003eMetabolism and Clearance 30\u003c\/p\u003e \u003cp\u003eFree Drug Hypothesis 31\u003c\/p\u003e \u003cp\u003eSummary 31\u003c\/p\u003e \u003cp\u003eQuestions for Review 32\u003c\/p\u003e \u003cp\u003eReferences 33\u003c\/p\u003e \u003cp\u003e\u003cb\u003e4 Principles and Methods of Chromatography for the Application of Property Measurements 34\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eTheoretical Background of Chromatography 35\u003c\/p\u003e \u003cp\u003eRetention Factor and Its Relation to the Distribution Constant Between the Mobile and the Stationary\u003cbr\u003e Phases 37\u003c\/p\u003e \u003cp\u003eMeasure of Separation Efficiency 40\u003c\/p\u003e \u003cp\u003eResolution and Separation Time 42\u003c\/p\u003e \u003cp\u003eGradient Elution 44\u003c\/p\u003e \u003cp\u003eApplicability of Chromatography for Measurements of Molecular Properties 47\u003c\/p\u003e \u003cp\u003eSummary 49\u003c\/p\u003e \u003cp\u003eQuestions for Review 50\u003c\/p\u003e \u003cp\u003eReferences 50\u003c\/p\u003e \u003cp\u003e\u003cb\u003e5 Molecular Physicochemical Properties that Influence Absorption and Distribution—Lipophilicity 52\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003ePartition Coefficient 52\u003c\/p\u003e \u003cp\u003eLipophilicity Measurements by Reversed Phase Chromatography with Isocratic Elution 58\u003c\/p\u003e \u003cp\u003eLipophilicity Measurements by Reversed Phase Chromatography with Gradient Elution 68\u003c\/p\u003e \u003cp\u003eLipophilicity of Charged Molecules—pH Dependence of Lipophilicity 72\u003c\/p\u003e \u003cp\u003eBiomimetic Lipophilicity Measurements by Chromatography 78\u003c\/p\u003e \u003cp\u003eComparing Various Lipophilicity Measures by the Solvation Equation Model 90\u003c\/p\u003e \u003cp\u003eSummary 102\u003c\/p\u003e \u003cp\u003eQuestions for Review 105\u003c\/p\u003e \u003cp\u003eReferences 105\u003c\/p\u003e \u003cp\u003e\u003cb\u003e6 Molecular Physicochemical Properties that Influence Absorption and Distribution—Solubility 112\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eDefinition of Solubility 112\u003c\/p\u003e \u003cp\u003eMolecular Interactions with Water 116\u003c\/p\u003e \u003cp\u003eVarious Solubility Measurements that can be Applied During the Drug Discovery Process 119\u003c\/p\u003e \u003cp\u003eConditions that Affect Solubility 121\u003c\/p\u003e \u003cp\u003eSolubility–pH Profile 132\u003c\/p\u003e \u003cp\u003eSolubility and Dissolution in Biorelevant Media 134\u003c\/p\u003e \u003cp\u003eComposition of Fasted State Simulated Intestinal Fluid (FaSSIF) 136\u003c\/p\u003e \u003cp\u003ePreparation of FaSSIF Solution 136\u003c\/p\u003e \u003cp\u003eComposition of Fed State Simulated Intestinal Fluid (FeSSIF) 136\u003c\/p\u003e \u003cp\u003ePreparation of FeSSIF solution 136\u003c\/p\u003e \u003cp\u003eSummary 143\u003c\/p\u003e \u003cp\u003eQuestions for Review 146\u003c\/p\u003e \u003cp\u003eReferences 146\u003c\/p\u003e \u003cp\u003e\u003cb\u003e7 Molecular Physicochemical Properties that Influence Absorption and Distribution—Permeability 150\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eBiological Membranes 150\u003c\/p\u003e \u003cp\u003eArtificial Membranes 153\u003c\/p\u003e \u003cp\u003ePhysicochemical Principles of Permeability 155\u003c\/p\u003e \u003cp\u003eExperimental Methods to Measure Artificial Membrane Permeability 159\u003c\/p\u003e \u003cp\u003eRelationships Between Permeability, Lipophilicity, and Solubility 166\u003c\/p\u003e \u003cp\u003eChromatography as a Potential Tool for Measuring the Rate of Permeation 171\u003c\/p\u003e \u003cp\u003eSummary 175\u003c\/p\u003e \u003cp\u003eQuestions for Review 178\u003c\/p\u003e \u003cp\u003eReferences 178\u003c\/p\u003e \u003cp\u003e\u003cb\u003e8 Molecular Physicochemical Properties that Influence Absorption and Distribution—Acid Dissociation Constant—pKa 182\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eDefinition of pKa 182\u003c\/p\u003e \u003cp\u003eMethods for Determining pKa 188\u003c\/p\u003e \u003cp\u003eSpectrophotometric Determination of pKa 192\u003c\/p\u003e \u003cp\u003eDetermination of pKa by Capillary Electrophoresis 195\u003c\/p\u003e \u003cp\u003eChromatographic Approaches for the Determination of pKa 197\u003c\/p\u003e \u003cp\u003eSummary 207\u003c\/p\u003e \u003cp\u003eQuestions for Review 209\u003c\/p\u003e \u003cp\u003eReferences 209\u003c\/p\u003e \u003cp\u003e\u003cb\u003e9 Models with Measured Physicochemical and Biomimetic Chromatographic Descriptors—Absorption 213\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eLipinski Rule of Five 214\u003c\/p\u003e \u003cp\u003eAbsorption Models with Lipophilicity and Size 217\u003c\/p\u003e \u003cp\u003eBiopharmaceutics Classification System (BCS) 221\u003c\/p\u003e \u003cp\u003eAbsorption Potential—Maximum Absorbable Dose 227\u003c\/p\u003e \u003cp\u003eAbraham Solvation Equations for Modeling Absorption 232\u003c\/p\u003e \u003cp\u003eEffect of Active Transport and Metabolizing Enzymes on Oral Absorption and Bioavailability 235\u003c\/p\u003e \u003cp\u003eSummary 236\u003c\/p\u003e \u003cp\u003eQuestions for Review 238\u003c\/p\u003e \u003cp\u003eReferences 238\u003c\/p\u003e \u003cp\u003e\u003cb\u003e10 Models with Measured Physicochemical and Biomimetic Chromatographic Descriptors—Distribution 242\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eModels for Volume of Distribution 249\u003c\/p\u003e \u003cp\u003ePlasma Protein Binding 276\u003c\/p\u003e \u003cp\u003eBlood\/Brain Distributions 288\u003c\/p\u003e \u003cp\u003eTissue Distribution 294\u003c\/p\u003e \u003cp\u003eSummary 296\u003c\/p\u003e \u003cp\u003eQuestions for Review 298\u003c\/p\u003e \u003cp\u003eReferences 298\u003c\/p\u003e \u003cp\u003e\u003cb\u003e11 Models with Measured Physicochemical and Biomimetic Chromatographic Descriptors—Drug Efficiency 303\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eDrug Efficiency 303\u003c\/p\u003e \u003cp\u003eSummary 327\u003c\/p\u003e \u003cp\u003eQuestions for Review 327\u003c\/p\u003e \u003cp\u003eReferences 328\u003c\/p\u003e \u003cp\u003e\u003cb\u003e12 Applications and Examples in Drug Discovery 330\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eStructure–Lipophilicity Relationships 330\u003c\/p\u003e \u003cp\u003eStructure–Solubility Relationships 346\u003c\/p\u003e \u003cp\u003eStructure–Permeability Relationships 354\u003c\/p\u003e \u003cp\u003eStructure–Charge State Relationships 362\u003c\/p\u003e \u003cp\u003eStructure–Protein Binding Relationships 366\u003c\/p\u003e \u003cp\u003eStructure–Phospholipid Binding Relationships 371\u003c\/p\u003e \u003cp\u003eSummary 376\u003c\/p\u003e \u003cp\u003eQuestions for Review 379\u003c\/p\u003e \u003cp\u003eReferences 379\u003c\/p\u003e \u003cp\u003e\u003cb\u003eAppendix A Answers to the Questions for Review 387\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003cb\u003eAppendix B List of Abbreviations and Symbols 427\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\u003cb\u003eIndex 433\u003c\/b\u003e\u003c\/p\u003e","brand":"John Wiley \u0026 Sons Inc","offers":[{"title":"Default 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