J Wang
John Wiley & Sons
e druk, 2014
9781118299920
Predictive ADMET – Integrated Approaches in Drug Discovery and Development
Integrated Approaches in Drug Discovery and Development
Specificaties
Gebonden, 624 blz.
|
Engels
John Wiley & Sons |
e druk, 2014
ISBN13: 9781118299920
Rubricering
Levertijd ongeveer 8 werkdagen
Samenvatting
By guiding in the application of techniques and tools for predicting ADMET outcomes in drug candidates,
Predictive ADMET offers a road map for drug discovery scientists to generate effective and safe drugs for unmet medical needs. Featuring case studies and lessons learned from real drug discovery and development, the text: helps users diagnose ADMET problems; presents appropriate recommendations; introduces the current clinical practice for drug discovery and development; and consolidates the tools and models to intelligently integrate existing in silico, in vitro and in vivo ADMET data.
Specificaties
Inhoudsopgave
<p>PREFACE ix</p>
<p>CONTRIBUTORS xi</p>
<p>I INTRODUCTION TO THE CURRENT SCIENTIFIC, CLINICAL, AND SOCIAL ENVIRONMENT OF DRUG DISCOVERY AND DEVELOPMENT</p>
<p>1 Current Social, Clinical, and Scientific Environment of Pharmaceutical R&D 3<br /> Laszlo Urban, Jean–Pierre Valentin, Kenneth I Kaitin, and Jianling Wang</p>
<p>2 Polypharmacology and Adverse Bioactivity Profiles Predict Potential Toxicity and Drug–related ADRs 23<br /> Teresa Kaserer, Veronika Temml, and Daniela Schuster</p>
<p>II INTELLIGENT INTEGRATION AND EXTRAPOLATION OF ADMET DATA</p>
<p>3 ADMET Diagnosis Models 49<br /> Bernard Faller, Suzanne Skolnik, and Jianling Wang</p>
<p>4 PATH (Probe ADME and Test Hypotheses): A Useful Approach Enabling Hypothesis–driven ADME Optimization 63<br /> Leslie Bell, Suzanne Skolnik, and Dallas Bednarczyk</p>
<p>5 PK–MATRIX A Permeability: Intrinsic Clearance System for Prediction, Classification, and Profiling of Pharmacokinetics and Drug drug Interactions 89<br /> Urban Fagerholm</p>
<p>6 Maximizing the Power of a Local Model for ADMET–property Prediction 103<br /> Sebastien Ronseaux, Jeremy Beck, and Clayton Springer</p>
<p>7 Chemoinformatic and Chemogenomic Approach to ADMET 125<br /> Virginie Y. Martiny, Ilza Pajeva, Michael Wiese, Andrew M. Davis, and Maria A. Miteva</p>
<p>8 Multiparameter Optimization of ADMET for Drug Design 145<br /> Matthew D. Segall and Edmund J. Champness</p>
<p>9 PBPK: Integrating In Vitro and In Silico Data in Physiologically Based Models 167<br /> Hannah M. Jones and Neil Parrott</p>
<p>10 Emerging Full Mechanistic Physiologically Based Modeling 189<br /> Kiyohiko Sugano</p>
<p>11 Pharmacokinetic/Pharmacodynamic Modeling in Drug Discovery: A Translational Tool to Optimize Discovery Compounds Toward the Ideal Target–specific Profile 211<br /> Patricia Schroeder</p>
<p>III ASSESSMENT AND MITIGATION OF CRITICAL CLINICALLY RELEVANT ADMET RISKS IN DRUG DISCOVERY AND DEVELOPMENT</p>
<p>12 In Vitro In Silico Tools to Predict Pharmacokinetics of Poorly Soluble Drug Compounds 235<br /> Christian Wagner and Jennifer B. Dressman</p>
<p>13 Evaluation of the Collective Impact of Passive Permeability and Active Transport on In Vivo Blood–brain Barrier and Gastrointestinal Drug Absorption 263<br /> Donna A. Volpe, Hong Shen, and Praveen V. Balimane</p>
<p>14 Integrated Assessment of Drug Clearance and Cross–Species Scalability 291<br /> Kevin Beaumont, James R. Gosset, and Chris E. Keefer</p>
<p>15 Practical Anticipation of Human Efficacious Doses and Pharmacokinetics using Preclinical In Vitro and In Vivo Data 319<br /> Tycho Heimbach, Rakesh Gollen, and Handan He</p>
<p>16 Management and Mitigation of Human Drug drug Interaction Risks in the Drug Discovery and<br /> Development Phases 353<br /> Heidi J. Einolf and Imad Hanna</p>
<p>17 Integrated Assessment and Clinical Translation of In Vitro Off–target Safety Pharmacology Risks 397<br /> Patrick Y. Muller and Christian F. Trendelenburg</p>
<p>18 Integrated Risk Assessment of Cardiovascular Safety in Drug Discovery 407<br /> G¨ul Erdemli and Ruth L. Martin</p>
<p>19 Drug–induced Hepatotoxicity: Advances in Preclinical Predictive Strategies and Tools 433<br /> Donna M. Dambach</p>
<p>20 Carcinogenicity and Teratogenicity Assessment 467<br /> Hans–J¨org Martus, David Beckman, and Lutz Mueller</p>
<p>21 Nephrotoxicity: Development of Biomarkers for Preclinical and Clinical Application 491<br /> Frank Dieterle and Estelle Marrer</p>
<p>IV SUCCESS STORIES AND LESSONS LEARNED</p>
<p>22 Early Intervention with Formulation Strategies for Multidimensional Problems to Optimize for Success 507<br /> Stephanie Dodd, Christina Capacci–Daniel, Christopher Towler, Riccardo Panicucci, and Keith Hoffmaster</p>
<p>23 Cytochrome P450–mediated Drug Interaction and Cardiovascular Safety: The Seldane to Allegra<br /> Transformation 523<br /> F. Peter Guengerich</p>
<p>24 Clinical Toxicity Profile of VEGF Inhibitors 535<br /> Mark P. S. Sie and Ferry A. L. M. Eskens</p>
<p>25 Cardiomyopathy: Drug Induced and Predisposed 555<br /> Shirley A. Aguirre and Eileen R. Blasi</p>
<p>26 Safety Management by Pharmacokinetic Considerations: Ranibizumab (Lucentis) and Bevacizumab (Avastin) 569<br /> Nicole H. Siegel and Manju L. Subramanian</p>
<p>INDEX 583</p>
<p>CONTRIBUTORS xi</p>
<p>I INTRODUCTION TO THE CURRENT SCIENTIFIC, CLINICAL, AND SOCIAL ENVIRONMENT OF DRUG DISCOVERY AND DEVELOPMENT</p>
<p>1 Current Social, Clinical, and Scientific Environment of Pharmaceutical R&D 3<br /> Laszlo Urban, Jean–Pierre Valentin, Kenneth I Kaitin, and Jianling Wang</p>
<p>2 Polypharmacology and Adverse Bioactivity Profiles Predict Potential Toxicity and Drug–related ADRs 23<br /> Teresa Kaserer, Veronika Temml, and Daniela Schuster</p>
<p>II INTELLIGENT INTEGRATION AND EXTRAPOLATION OF ADMET DATA</p>
<p>3 ADMET Diagnosis Models 49<br /> Bernard Faller, Suzanne Skolnik, and Jianling Wang</p>
<p>4 PATH (Probe ADME and Test Hypotheses): A Useful Approach Enabling Hypothesis–driven ADME Optimization 63<br /> Leslie Bell, Suzanne Skolnik, and Dallas Bednarczyk</p>
<p>5 PK–MATRIX A Permeability: Intrinsic Clearance System for Prediction, Classification, and Profiling of Pharmacokinetics and Drug drug Interactions 89<br /> Urban Fagerholm</p>
<p>6 Maximizing the Power of a Local Model for ADMET–property Prediction 103<br /> Sebastien Ronseaux, Jeremy Beck, and Clayton Springer</p>
<p>7 Chemoinformatic and Chemogenomic Approach to ADMET 125<br /> Virginie Y. Martiny, Ilza Pajeva, Michael Wiese, Andrew M. Davis, and Maria A. Miteva</p>
<p>8 Multiparameter Optimization of ADMET for Drug Design 145<br /> Matthew D. Segall and Edmund J. Champness</p>
<p>9 PBPK: Integrating In Vitro and In Silico Data in Physiologically Based Models 167<br /> Hannah M. Jones and Neil Parrott</p>
<p>10 Emerging Full Mechanistic Physiologically Based Modeling 189<br /> Kiyohiko Sugano</p>
<p>11 Pharmacokinetic/Pharmacodynamic Modeling in Drug Discovery: A Translational Tool to Optimize Discovery Compounds Toward the Ideal Target–specific Profile 211<br /> Patricia Schroeder</p>
<p>III ASSESSMENT AND MITIGATION OF CRITICAL CLINICALLY RELEVANT ADMET RISKS IN DRUG DISCOVERY AND DEVELOPMENT</p>
<p>12 In Vitro In Silico Tools to Predict Pharmacokinetics of Poorly Soluble Drug Compounds 235<br /> Christian Wagner and Jennifer B. Dressman</p>
<p>13 Evaluation of the Collective Impact of Passive Permeability and Active Transport on In Vivo Blood–brain Barrier and Gastrointestinal Drug Absorption 263<br /> Donna A. Volpe, Hong Shen, and Praveen V. Balimane</p>
<p>14 Integrated Assessment of Drug Clearance and Cross–Species Scalability 291<br /> Kevin Beaumont, James R. Gosset, and Chris E. Keefer</p>
<p>15 Practical Anticipation of Human Efficacious Doses and Pharmacokinetics using Preclinical In Vitro and In Vivo Data 319<br /> Tycho Heimbach, Rakesh Gollen, and Handan He</p>
<p>16 Management and Mitigation of Human Drug drug Interaction Risks in the Drug Discovery and<br /> Development Phases 353<br /> Heidi J. Einolf and Imad Hanna</p>
<p>17 Integrated Assessment and Clinical Translation of In Vitro Off–target Safety Pharmacology Risks 397<br /> Patrick Y. Muller and Christian F. Trendelenburg</p>
<p>18 Integrated Risk Assessment of Cardiovascular Safety in Drug Discovery 407<br /> G¨ul Erdemli and Ruth L. Martin</p>
<p>19 Drug–induced Hepatotoxicity: Advances in Preclinical Predictive Strategies and Tools 433<br /> Donna M. Dambach</p>
<p>20 Carcinogenicity and Teratogenicity Assessment 467<br /> Hans–J¨org Martus, David Beckman, and Lutz Mueller</p>
<p>21 Nephrotoxicity: Development of Biomarkers for Preclinical and Clinical Application 491<br /> Frank Dieterle and Estelle Marrer</p>
<p>IV SUCCESS STORIES AND LESSONS LEARNED</p>
<p>22 Early Intervention with Formulation Strategies for Multidimensional Problems to Optimize for Success 507<br /> Stephanie Dodd, Christina Capacci–Daniel, Christopher Towler, Riccardo Panicucci, and Keith Hoffmaster</p>
<p>23 Cytochrome P450–mediated Drug Interaction and Cardiovascular Safety: The Seldane to Allegra<br /> Transformation 523<br /> F. Peter Guengerich</p>
<p>24 Clinical Toxicity Profile of VEGF Inhibitors 535<br /> Mark P. S. Sie and Ferry A. L. M. Eskens</p>
<p>25 Cardiomyopathy: Drug Induced and Predisposed 555<br /> Shirley A. Aguirre and Eileen R. Blasi</p>
<p>26 Safety Management by Pharmacokinetic Considerations: Ranibizumab (Lucentis) and Bevacizumab (Avastin) 569<br /> Nicole H. Siegel and Manju L. Subramanian</p>
<p>INDEX 583</p>