Book
1 online resource
Despite considerable technological advances, the pharmaceutical industry is experiencing a severe innovation deficit, especially in the discovery of new drugs. Innovative Approaches in Drug Discovery: Ethnopharmacology, Systems Biology and Holistic Targeting provides a critical review and analysis of health, disease and medicine, and explores possible reasons behind the present crisis in drug discovery. The authors illustrate the benefits of systems biology and pharmacogenomics approaches, and advocate the expansion from disease-centric discovery to person-centric therapeutics involving holistic, multi-target, whole systems approaches. This book lays a path for reigniting pharmaceutical innovation through a disciplined reemergence of pharmacognosy, embracing open innovation models and collaborative, trusted public-private partnerships. With unprecedented advances made in the development of biomedically-relevant tools and technologies, the need is great and the time is now for a renewed commitment towards expanding the repertoire of medicines.ïŽ By incorporating real-life examples and state-of-the-art reviews, this book provides valuable insights into the discovery and development strategies for professionals, academicians, and students in the pharmaceutical sciences.
Book
1 online resource.
  • Drug Administration and Distribution
  • Drug Metabolism and Excretion
  • Single-compartment Pharmacokinetic Models
  • Multiple-compartment and Non-compartment Pharmacokinetic Models
  • Kinetics of Metabolism and Excretion
  • Clearance, Protein Binding and Physiological Modelling
  • Quantitative Pharmacological Relationships
  • Pharmacokinetics of Large Molecules
  • Pharmacogenetics and Pharmacogenomics
  • Additional Factors Affecting Plasma Concentrations
  • Effects of Age and Disease on Drug Disposition
  • Drug Interactions and Toxicity
  • Perspectives and Prospects
  • Appendix 1: Mathematical Concepts and the Trapezoidal Method
  • Appendix 2: Dye Models to Teach Pharmacokinetics
  • Appendix 3: Curve Fitting
  • Appendix 4: Pharmacokinetic Simulations.
"The application of knowledge of drug disposition, and skills in pharmacokinetics, are crucial to the development of new drugs and to a better understanding of how to achieve maximum benefit from existing ones. The book takes the reader from basic concepts to a point where those who wish to will be able to perform pharmacokinetic calculations and be ready to read more advanced texts and research papers. The book will be of benefit to students of medicine, pharmacy, pharmacology, biomedical sciences and veterinary science, including those who have elected to study the topic in more detail, such as via electives and special study modules. It will be of benefit to those involved in drug discovery and development, pharmaceutical and medicinal chemists, as well as budding toxicologists and forensic scientists who require the appropriate knowledge to interpret their findings and as an introductory text for clinical pharmacologists. Early chapters describe the basic principles of the topic while the later ones illustrate the application of those principles to modern approaches to drug development and clinical use. Full colour illustrations facilitate the learning experience and supporting material for course leaders and students can be found on the Companion Web Site"-- Provided by publisher.
"The book takes the reader from basic concepts to a point where those who wish to will be able to perform pharmacokinetic calculations and be ready to read more advanced texts and research papers"-- Provided by publisher.
Book
ix, 701 pages : illustrations ; 28 cm
  • Interpretive tools
  • States of matter
  • Thermodynamics
  • Physical properties determination
  • Nonelectrolytes
  • Electrolyte solutions
  • Ionic equilibria
  • Buffered and isotonic solutions
  • Solubility and distribution phenomena
  • Complexation and protein binding
  • Diffusion
  • Biopharmaceutics
  • Drug release and dissolution
  • Chemical kinetics and stability
  • Interfacial phenomena
  • Rheology
  • Colloidal dispersions & nanotechnology
  • Coarse dispersions
  • Micromeritics
  • Pharmaceutical biotechnology
  • Pharmaceutical polymers
  • Compounding
  • Excipients
  • Oral solid dosage forms
  • Drug delivery systems and drug product design.
Martin's Physical Pharmacy and Pharmaceutical Sciences is considered the most comprehensive text available on the physical, chemical, and biological principles that underlie pharmacology. This 7th Edition puts a stronger focus on the most essential, practical knowledge, and is updated to reflect the broadening scope and diversity of the pharmaceutical sciences. Whether you're a student, teacher, researcher, or industrial pharmaceutical scientist, this respected textbook and reference will help you apply the elements of biology, physics, and chemistry in your work and study. Master the latest knowledge with brand-new chapters on Excipients and Compounding; revised and expanded coverage of interpretive tools, ionic equilibria, biopharmaceutics, diffusion, drug release and dissolution, and drug delivery systems and drug product design; a renewed focus on physical chemistry; and much more. See how physical chemistry principles apply to practice through abundant examples. Focus on the most need-to-know information via Key Concept boxes..
(source: Nielsen Book Data)9781451191455 20170213
Science Library (Li and Ma)
Book
1 online resource (411 pages)
  • Chapter 1. Traditional Chinese Medicine: Current State, Challenges, and Applications Chapter 2. Serum Pharmacochemistry of Traditional Chinese Medicine: Historical Development and Strategies Chapter 3. Integrated Serum Pharmacochemistry of TCM and Metabolomics Strategies for Innovative Drug Discovery Chapter 4. UPLC/MS and Its Potential in Traditional Chinese Medicine Development Chapter 5. Analytical Characterization of Yin-Chen-Hao-Tang by Serum Pharmacochemistry of TCM Chapter 6. Pharmacokinetic Strategy for Screening the Effective Components From YCHT Chapter 7. Synergism Effects of Active Ingredients From YCHT Chapter 8. Serum Pharmacochemistry of TCM for Screening the Active Ingredients From Wen-Xin Formulae Chapter 9. Characterization and Pharmacokinetic Study of Multiple Constituents From Shengmai San Chapter 10. Multivariate Data Processing Tools to Screen the Active Ingredients From Kai-Xin-San Chapter 11. Serum Pharmacochemistry of TCM for Determining the Active Ingredients of Shuanghuanglian Formulae Chapter 12. Pharmacokinetic-Pharmacodynamic Study of Zhi Zhu Wan Chapter 13. Identification of the Absorbed Components of Shaoyao-Gancao Decoction Chapter 14. Rapid Analysis of Multiple Constituents of Suanzaoren Decoction by UPLC-MS Chapter 15. UPLC-MS Analysis of the Chemical Constituents of Liuwei Dihuang Wan Chapter 16. Multivariate Data Analysis for Rapid Identification of Chemical Constituents of Simiao Wan Chapter 17. Time-Course Study of Multicomponents After Oral Administration of Stemonae Radix Chapter 18. Global Characterization of Chemical Constituents of Phellodendri amurensis Cortex Chapter 19. Comparative Analysis of Chemical Constituents of Phellodendri amurensis Cortex and Zhibai Dihuang Pill Chapter 20. UPLC-MS Determining the Active Ingredients of Herbal Fructus Corni In Vivo Chapter 21. Serum Pharmacochemistry of TCM Screening the Bioactive Components From Moutan Cortex Chapter 22. Rapid Analysis of Constituents and Metabolites From Extracts of Acanthopanax senticosus Harms Leaf Chapter 23. Systematic Characterization of the Absorbed Components of Acanthopanax senticosus Stem Chapter 24. Identification of the Absorbed Constituents of Schisandra Lignans by Serum Pharmacochemistry of TCM.
  • (source: Nielsen Book Data)9780128111475 20170313
Serum Pharmacochemistry of Traditional Chinese Medicine: Technologies, Strategies and Applications provides a valuable and indispensable guide on the latest methods, research advances, and applications in this area. Chapters offer cutting-edge information on pharmacokinetics and pharmacodynamics, analytical chemistry, traditional medicine, natural products, bioinformatics, new technologies, therapeutic applications, and more. For researchers and students in academia and industry, this book provides a hands-on description of experimental techniques, along with beneficial guidelines to help advance research in the fields of Traditional Chinese Medicine and drug development.
(source: Nielsen Book Data)9780128111475 20170313
Book
1 online resource
  • Preface XIII List of Contributors XVII Part I HDAC Inhibitor Anticancer Drug Discovery 1 1 From DMSO to the Anticancer Compound SAHA, an Unusual Intellectual Pathway for Drug Design 3Ronald Breslow 1.1 Introduction 3 1.2 The Discovery of SAHA (vorinostat) 4 1.3 Clinical Trials 7 1.4 Follow-On Research - Selective HDAC Inhibitors 8 1.5 Conclusion 9 References 9 2 Romidepsin and the Zinc-Binding Thiol Family of Natural Product HDAC Inhibitors 13A. Ganesan 2.1 Histone Deacetylases as a Therapeutic Target 13 2.2 The Discovery and Development of Romidepsin 15 2.3 The Zinc-BindingThiol Family of Natural Product HDAC Inhibitors 18 2.4 Synthetic Analogues of the Zinc-BindingThiol Natural Products 21 2.5 Summary 23 References 24 3 The Discovery and Development of Belinostat 31Paul W. Finn, Einars Loza and Elisabeth Carstensen 3.1 Introduction 31 3.2 Discovery of Belinostat 32 3.2.1 Design Strategy 32 3.2.2 Medicinal Chemistry and SAR 34 3.3 Belinostat Biological Profiling 41 3.3.1 Mode of Action and HDAC Isoform Selectivity 41 3.3.2 Antiproliferative and Antitumor Activity 42 3.4 Formulation Development 44 3.5 Clinical Development 45 3.5.1 Clinical Studies Leading to Approval and Other Clinical Investigations 45 3.5.2 Pharmacokinetics 49 3.5.3 Safety and Tolerability 51 3.6 Conclusions 52 References 53 4 Discovery and Development of Farydak (NVP-LBH589, Panobinostat) as an Anticancer Drug 59Peter Atadja and Lawrence Perez 4.1 Target Identification: From p21Waf1 Induction to HDAC Inhibition 59 4.2 Program Flowchart Assays for Drug Discovery 61 4.3 Hit-To-Lead Campaign: Trichostatin A to LAK974 63 4.4 Lead Optimization: LAK974 to LAQ824 64 4.5 Profiling LAQ824 for Cancer Therapy 66 4.6 Preclinical Development of LAQ824 70 4.7 LAQ824 Follow-Up 72 4.8 Discovery of LBH589 73 4.9 Safety Profile for LBH589 74 4.10 Pan-HDAC Inhibition by LBH589 76 4.11 Cancer Cell-Specific Cytotoxicity of LBH589 76 4.11.1 Toxicity and Safety Studies with LBH589 78 4.11.2 Early Clinical Activity of LBH589 in CTCL 78 4.11.3 Large-Scale Cell Line Profiling to Discover Lineage-Specific LBH589-Sensitive Cancer Indications 79 4.11.4 Clinical Profiling ofHemeMalignancies for LBH589Activity 80 4.11.5 Phase II Study of Oral Panobinostat in Hodgkin Lymphoma 81 4.11.6 Phase IB Clinical Studies in MultipleMyeloma 82 4.11.7 Phase III Registration Study inRelapsed orRefractoryMyeloma 82 4.11.8 Conclusion and Future Perspective 83 References 85 5 Discovery and Development of HDAC Subtype Selective Inhibitor Chidamide: Potential Immunomodulatory Activity Against Cancers 89Xian-Ping Lu, Zhi-Qiang Ning, Zhi-Bin Li, De-Si Pan, Song Shan, Xia Guo, Hai-Xiang Cao, Jin-Di Yu and Qian-Jiao Yang 5.1 Introduction 89 5.1.1 Epigenetics and Cancer 89 5.1.2 Epigenetic Drugs 90 5.2 Discovery of Chidamide 93 5.2.1 Identification of Chemical Scaffold 93 5.2.2 Design and ScreeningNewSelective BenzamideHDACInhibitors 93 5.2.3 Molecular Docking of Chidamide with HDAC2 95 5.3 Molecular Mechanisms of Chidamide 97 5.3.1 Selectivity 97 5.3.2 Induction of Cell Cycle Arrest, Apoptosis and Differentiation of Tumour Cells 98 5.3.3 Reversal of Epithelial toMesenchymal Transition 99 5.3.4 Stimulation of Innate andAntigen-SpecificAntitumour Immunity 99 5.3.5 Multiplicity of Anticancer Mechanisms by Chidamide 100 5.4 Animal Studies 101 5.5 Clinical Development 101 5.5.1 Pharmacokinetics and Pharmacodynamics 101 5.5.2 Unmet Medical Needs for PeripheralT-Cell Lymphoma (PTCL) 102 5.5.3 Efficacy Assessment of Chidamide in PTCL Patients 103 5.5.4 Safety Profile 105 5.6 Future Perspective 106 References 108 Part II Steroidal CYP17 Inhibitor Anticancer Drug Discovery 115 6 Abiraterone Acetate (Zytiga): AnInhibitor of CYP17 as a Therapeutic for Castration-Resistant Prostate Cancer 117Gabriel M. Belfort, Boyd L. Harrisonand Gabriel Martinez Botella 6.1 Introduction 117 6.2 Discovery and Structure-Activity Relationships (SAR) 119 6.3 Preclinical Characterisation of Abiraterone and Abiraterone Acetate 126 6.3.1 Pharmacology 126 6.3.2 Pharmacokinetics 127 6.3.3 Toxicology 128 6.4 Physical Characterisation 129 6.5 Clinical Studies 129 6.6 Conclusion 132 References 133 Part III Anti-Infective Drug Discoveries 137 7 Discovery of Delamanid for the Treatment of Multidrug-Resistant Pulmonary Tuberculosis 139Hidetsugu Tsubouchi, Hirofumi Sasaki, Hiroshi Ishikawa and Makoto Matsumoto 7.1 Introduction 139 7.2 Synthesis Strategy 140 7.3 Synthesis Route 142 7.4 Screening Evaluations 145 7.4.1 Screening Procedure 145 7.4.2 Screening Results 146 7.4.3 Selection of a Compound Candidate for Preclinical Tests 151 7.5 Preclinical Data of Delamanid 151 7.5.1 Antituberculosis Activity 151 7.5.2 Mechanism of Action 153 7.5.3 Pharmacokinetics 153 7.5.4 Genotoxicity and Carcinogenicity 154 7.5.5 Preclinical Therapeutic Efficacy 154 7.6 Clinical Data of Delamanid 155 7.6.1 Clinical Pharmacokinetics 155 7.6.2 Drug-Drug Interactions 156 7.6.3 Cardiovascular Safety 156 7.6.4 Clinical Therapeutic Efficacy 156 7.6.5 Other Clinical Trials 157 7.7 Future Priorities and Conclusion 158 References 159 8 Sofosbuvir: The Discovery of a Curative Therapy for the Treatment of Hepatitis C Virus 163Michael J. Sofia 8.1 Introduction 163 8.2 Discussion 165 8.2.1 Target Rationale: HCVNS5BRNA-Dependent RNA Polymerase 165 8.2.2 Rationale andDesign of a Liver Targeted Nucleotide Prodrug 168 8.2.3 Prodrug Optimization and Preclinical Evaluation 171 8.2.4 Prodrug Metabolism 175 8.2.5 Clinical Proof of Concept of a Liver Targeted Nucleotide Prodrug 176 8.2.6 The Single Diastereomer: Sofosbuvir 176 8.2.7 Sofosbuvir Preclinical Profile 177 8.2.8 Sofosbuvir Clinical Studies 179 8.2.9 Viral Resistance 182 8.3 Conclusion 183 References 184 Part IV Central Nervous System (CNS) Drug Discovery 189 9 The Discovery of the Antidepressant Vortioxetine and the Research that Uncovered Its Potential to Treat the Cognitive Dysfunction Associated with Depression 191Benny Bang-Andersen, Christina Kurre Olsen and Connie Sanchez 9.1 Introduction 191 9.2 The Discovery of Vortioxetine 192 9.3 Clinical Development of Vortioxetine for theTreatment ofMDD 200 9.4 UncoveringVortioxetine's Potential toTreat Cognitive Dysfunction in Patients with MDD 201 9.4.1 Early Preclinical Evidence that Differentiated Vortioxetine from Other Antidepressants 201 9.4.2 Vortioxetine's Primary Targets and Their Putative Impact on Cognitive Function - Early Preclinical Data 202 9.4.3 Hypothesis-Generating Clinical Study of Vortioxetine's Effects on Cognitive Symptoms in Elderly Patients with MDD 203 9.4.4 Substantiation of a Mechanistic Rationale for the Procognitive Effects of Vortioxetine in Preclinical Models and Its Differentiation from SSRIs and SNRIs 204 9.4.5 Confirmation of the Cognitive Benefits of Vortioxetine in Two Large Placebo-Controlled Studies in Adults with MDD 205 9.4.6 Additional Translational Evidence of the Effect of Vortioxetine on Brain Activity During Cognitive Performance 208 9.5 Conclusion 208 References 210 Part V Antiulcer Drug Discovery 215 10 Discovery of Vonoprazan Fumarate (TAK-438) as a Novel, Potent and Long-Lasting Potassium-Competitive Acid Blocker 217Haruyuki Nishida 10.1 Introduction 217 10.2 Limitations of PPIs and the Possibility of P-CABs 218 10.3 Exploration of Seed Compounds 220 10.4 Lead Generation from HTS Hit Compound 1 220 10.5 Analysis of SAR and Structure-Toxicity Relationship for Lead Optimization 223 10.6 Selection of Vonoprazan Fumarate (TAK-438) as a Candidate Compound 224 10.7 Preclinical Study of TAK-438 226 10.8 Clinical Study of TAK-438 228 10.9 Discussion 229 10.10 Conclusion 230 References 232 Part VI Cross-Therapeutic Drug Discovery (Respiratory Diseases/Anticancer) 235 11 Discovery and Development of Nintedanib: A Novel Antiangiogenic and Antifibrotic Agent 237Gerald J. Roth, Rudolf Binder, Florian Colbatzky, Claudia Dallinger, Rozsa Schlenker-Herceg, Frank Hilberg, Lutz Wollin, John Park, Alexander Pautsch and Rolf Kaiser 11.1 Introduction 237 11.2 Structure-Activity Relationships of Oxindole Kinase Inhibitors and the Discovery of Nintedanib 238 11.3 Structural Research 244 11.4 Preclinical Pharmacodynamic Exploration 246 11.4.1 Kinase Inhibition Profile of Nintedanib 246 11.4.2 Oncology, Disease Pathogenesis and Mechanism of Action 246 11.4.3 Idiopathic Pulmonary Fibrosis, Disease Pathogenesis andMechanism of Action 249 11.5 Nonclinical Drug Metabolism and Pharmacokinetics 250 11.6 Clinical Pharmacokinetics 251 11.7 Toxicology 252 11.8 Phase III Clinical Data 253 11.8.1 Efficacy and Safety of Nintedanib in IPF 253 11.8.2 Efficacy and Safety of Nintedanib in NSCLC 255 11.9 Other Oncology Studies 256 11.10 Conclusions 257 References 258 Index 267.
  • (source: Nielsen Book Data)9783527800346 20170313
  • PART I. HDAC Inhibitor Anticancer Drug Discovery FROM DMSO TO THE ANTICANCER COMPOUND SAHA, AN UNUSUAL INTELLECTUAL PATHWAY FOR DRUG DESIGN Introduction The Discovery of SAHA (vorinostat) Clinical Trials Follow-On Research - Selective HDAC Inhibitors Conclusion ROMIDEPSIN AND THE ZINC-BINDING THIOL FAMILY OF NATURAL PRODUCT HDAC INHIBITORS Histone Deacetylases as a Therapeutic Target The Discovery and Development of Romidepsin The Zinc-Binding Thiol Family of Natural Product HDAC Inhibitors Synthetic Analogues of the Zinc-Binding Thiol Natural Products Summary THE DISCOVERY AND DEVELOPMENT OF BELINOSTAT Introduction Discovery of Belinostat Belinostat Biological Profiling Formulation Development Clinical Development Conclusions DISCOVERY AND DEVELOPMENT OF FARYDAK (NVP-LBH589, PANOBINOSTAT) AS AN ANTICANCER DRUG Target Identification: From p21Wafl Induction to HDAC Inhibition Program Flowchart Assays for Drug Discovery Hit-To-Lead Campaign: Trichostatin A to LAK974 Lead Optimization: LAK974 to LAQ824 Profiling LAQ824 for Cancer Therapy Preclinical Development of LAQ824 LAQ824 Follow-Up Discovery of LBH589 Safety Profile for LBH589 Pan-HDAC Inhibition by LBH589 Cancer Cell-Specific Cytotoxicity of LBH589 DISCOVERY AND DEVELOPMENT OF HDAC SUBTYPE SELECTIVE INHIBITOR CHIDAMIDE: POTENTIAL IMMUNOMODULATORY ACTIVITY AGAINST CANCER Introduction Discovery of Chidamide Molecular Mechanisms of Chidamide Animal Studies Clinical Development Future Perspective PART II. Steroidal CYP17 Inhibitor Anticancer Drug Discovery ABIRATERONE ACETATE (ZYTIGA): AN INHIBITOR OF CYP17 AS A THERAPEUTIC FOR CASTRATION-RESISTANT PROSTATE CANCER Introduction Discovery and Structure-Activity Relationships (SAR) Preclinical Characterisation of Abiraterone Physical Characterisation Clinical Studies Conclusion PART III. Anti-Infective Drug Discoveries DISCOVERY OF DELAMANID FOR THE TREATMENT OF MULTIDRUG-RESISTANT PULMONARY TUBERCULOSIS Introduction Synthesis Strategy Synthesis Route Screening Evaluations Preclinical Data of Delamanid Clinical Data of Delamanid Future Priorities and Conclusion SOFOSBUVIR: THE DISCOVERY OF A CURATIVE THERAPY FOR THE TREATMENT OF HEPATITIS C VIRUS Introduction Discussion Conclusion PART IV. Central Nervous System (CNS) Drug Discovery THE DISCOVERY OF THE ANTIDEPRESSANT VORTIOXETINE AND THE RESEARCH THAT UNCOVERED ITS POTENTIAL TO TREAT THE COGNITIVE DYSFUNCTION ASSOCIATED WITH DEPRESSION Introduction The Discovery of Vortioxetine Clinical Development of Vortioxetine for the Treatment of MDD Uncovering Vortioxetine's Potential to Treat Cognitive Dysfunction in Patients with MDD Conclusion PART V. Antiulcer Drug Discovery DISCOVERY OF VONOPRAZAN FUMARATE (TAK-438) AS A NOVEL, POTENT AND LONG-LASTING POTASSIUM-COMPETITIVE ACID BLOCKER Introduction Limitations of PPIs and the Possibility of P-CABs Exploration of Seed Compounds Lead Generation from HTS Hit Compound 1 Analysis of SAR and Structure-Toxicity Relationship for Lead Optimization Selection of Vonoprazan Fumarate (TAK-438) as a Candidate Compound Preclinical Studiy of TAK-438 Clinical Study of TAK-438 Discussion Conclusion PART VI. Cross-Therapeutic Drug Discovery (Respiratory Diseases/Anti-Cancer) DISCOVERY AND DEVELOPMENT OF NINTEDANIB: A NOVEL ANTIANGIOGENIC AND ANTIFIBROTIC AGENT Introduction Structure-Activity Relationships of Oxindole Kinase Inhibitors and the Discovery of Nintedanib Structural Research Preclinical Pharmacodynamic Exploration Nonclinical Drug Metabolism and Pharmacokinetics Clinical Pharmacokinetics Toxicology Phase III Clinical Data Other Oncology Studies Conclusions Index.
  • (source: Nielsen Book Data)9783527800322 20170313
Retaining the successful approach found in the previous volume in this series, the inventors and primary developers of drugs that successfully made it to market tell the story of the drug's discovery and development and relate the often twisted route from the first candidate molecule to the final marketed drug. 11 selected case studies describe recently introduced drugs that have not been previously covered in textbooks or general references. These range across six different therapeutic fields and provide a representative cross-section of the current drug development efforts. Backed by copious data and chemical information, the insight and experience of the contributors makes this one of the most useful training manuals that a junior medicinal chemist can hope to find and has won the support and endorsement of IUPAC.
(source: Nielsen Book Data)9783527800346 20170313
Book
1 online resource (xxviii, 506 p.) : ill. (some col.)
"The structural complexity and the synthetic challenges facing glycans have historically hampered efforts to study their multifaceted roles and the application of carbohydrates in drug development. However, in very recent years, new synthetic techniques flanked by the growing knowledge about carbohydrate involvement in physiological and pathological states has spurred renewed interest in the chemistry, biology and therapeutic potentialities of carbohydrates. This book offers an overview of key aspects of carbohydrate biology and chemistry that are fundamental for the design of novel therapeutics. The four-part structure of this book introduces these essential components to life, starting from their structure and biological roles and covering analytical methods and synthesis which pave the way for the development of a wide range of therapeutic applications. Leading experts from around the world are brought together to offer their recent research with the ultimate aim of enlightening the reader on the complex yet exciting field of carbohydrate chemistry. Academic and industrial researchers in structural biology, drug discovery and carbohydrate chemistry will find this book an essential guide to the latest research and future potential of medicinal chemistry."-- Provided by publisher.
Book
1 online resource (xii, 219 pages) : illustrations (some color) Digital: data file.
  • Introduction.- Antibiotic resistance development.- Major classes of antibiotics.- Relevant concepts in Biochemistry.- The cell wall as a target.- Mechanism of resistance to B-lactams.- Antibiotic Vancomycin.- Antibiotics that inhibit nucleotide synthesis.- Antibiotics that inhibit DNA synthesis.- Drugs that cause DNA cleavage.- Antibiotics that inhibit RNA synthesis.- Antibiotics that inhibit RNA synthesis.- Antibiotics that disrupt membrane structure.
  • (source: Nielsen Book Data)9783319407449 20161010
This textbook discusses how the various types of antibiotics and related drugs work to cure infections. Then it delves into the very serious matter of how bacteria are becoming resistant to these antibiotics. Appropriate for a one-semester course at either the graduate or advanced undergraduate level, this textbook contains worked examples of (1) experimental procedures and (2) interpreting data.
(source: Nielsen Book Data)9783319407449 20161010
Book
xxv, 430 pages : illustrations ; 24 cm
  • Preface Overview and Recent Advances in QSAR Studies-- Rahul P. Gangwal, Mangesh V. Damre, and Abhay T. Sangamwar Software and Web Resources for Computer-Aided Molecular Modeling and Drug Discovery-- Dharmendra Kumar Yadav, Reeta Rai, Ramendra Pratap, and Harpreet Singh The Rm2 Metrics for Validation of QSAR/QSPR Models-- Kunal Roy and Supratik Kar Considering the Molecular Conformational Flexibility in QSAR Studies-- Javier Garcia, Pablo R. Duchowicz, and Eduardo A. Castro Practical Aspects of Building, Validation and Application of 3D-Pharmacophore Models-- Elumalai Pavadai and Kelly Chibale Application of Conceptual Density Functional Theory in Developing QSAR Models and Their Usefulness in the Prediction of Biological Activity and Toxicity of Molecules-- Sudip Pan, Ashutosh Gupta, Debesh R. Roy, Rajesh K. Sharma, Venkatesan Subramanian, Analava Mitra, and Pratim K. Chattaraj Synopsis of Chemometric Applications to Model PPAR Agonism-- Theodosia Vallianatou, George Lambrinidis, and Anna Tsantili-Kakoulidou Antimicrobial and Immunosuppressive Activitites of Cyclopeptides as Targets for Medicinal Chemistry-- Alicia B. Pomilio, Stella M. Battistaand, and Arturo A. Vitale On the Use of Quantitative Structure Activity Relationships (QSAR) and Global Reactivity Descriptors to Study the Biological Activities of Polychlorinated Biphenyls (PCBs)-- Nazmul Islam Applications of Quantitative Structure-Relative Sweetness Relationships in Food Chemistry-- Cristian Rojas, Pablo R. Duchowicz, Reinaldo Pis Diez, and Piercosimo Tripaldi QSAR Studies of 1, 4-Benzodiazepines as CCKA Antagonist-- Sumitra Nain, P. M. Shivakumar, and Sarvesh Paliwal Docking-Based Scoring Parameters Based QSAR Modeling on a Dataset of Bisphenylbenzimidazole as Non-Nucleoside Reverse Transcriptase Inhibitor-- Surendra Kumar and Meena Tiwari Potential Anti-Inflammatory and Anti-Proliferative Agents.-1h-Isochromen-1-Ones and Their Thio Analogues and Their QSAR Studies-- F. Nawaz Khan, Ponnurengam Malliappan Sivakumar, Mukesh Doble, P. Manivel, and Euh Duck Jeong QSAR Studies on Dihydrofolate Reductase Enzyme: From Model to Biological Activity-- Rajesh Rengarajan, Garima Mathur, Anu Sharma, P. M. Shivakumar, and Sumitra Nain Index.
  • (source: Nielsen Book Data)9781771881135 20160919
This important new book provides innovative material, including peer-reviewed chapters and survey articles on new applied research and development, in the scientifically important field of QSAR in medicinal chemistry. QSAR is a growing field because available computing power is continuously increasing, QSAR's potential is enormous, limited only by the quantity and quality of the available experimental input, which are also continuously improving. The number of possible structures for the design of new organic compounds is difficult to imagine, and QSAR helps to predict their activities even before synthesis. The book provides a wealth of valuable information and: * Presents an overview of recent developments in QSAR methodologies along with a brief history of QSAR * Covers the available web resource tools and in silico techniques used in virtual screening and drug discovery processes, compiling an extensive review of web resources in the following categories: databases related to chemical compounds, drug targets, and ADME/toxicity prediction; molecular modeling and drug designing; virtual screening; pharmacophore generation; molecular descriptor calculation software; software for quantum mechanics; ligand binding affinities (docking); and software related to ADME/toxicity prediction * Reviews the rm2 as a more stringent measure for the assessment of model predictivity compared to traditional validation metrics, being specifically important since validation is a crucial step in any QSAR study * Presents linear model improvement techniques that take into account the conformation flexibility of the modeled molecules * Summarizes the building processes of four different pharmacophore models: common-feature, 3D-QSAR, protein-, and protein-ligand complexes * Shows the role of different conceptual density functional theory based chemical reactivity descriptors, such as hardness, electrophilicity, net electrophilicity, and philicity in the design of different QSAR/QSPR/QSTR models * Reviews the use of chemometrics in PPAR research highlighting its substantial contribution in identifying essential structural characteristics and understanding the mechanism of action * Presents the structures and QSARs of antimicrobial and immunosuppressive cyclopeptides, discussing the balance of antimicrobial and haemolytic activities for designing new antimicrobial cyclic peptides * Shows the relationship between DFT global descriptors and experimental toxicity of a selected group of polychlorinated biphenyls, exploring the efficacy of three DFT descriptors * Reviews the applications of Quantitative Structure-Relative Sweetness Relationships (QSRSR), showing that the last decade was marked by an increase in the number of studies regarding QSAR applications for both understanding the sweetness mechanism and synthesizing novel sweetener compounds for the food additive industry The wide coverage makes this book an excellent reference for those in chemistry, pharmacology, and medicine as well as for research centers, governmental organizations, pharmaceutical companies, and health and environmental control organizations.
(source: Nielsen Book Data)9781771881135 20160919
Science Library (Li and Ma)
Book
1 online resource.
  • Computational Pharmaceutical Solid-State Chemistry / Yuriy A Abramov
  • Navigating the Solid Form Landscape with Structural Informatics / Peter T A Galek, Elna Pidcock, Peter A Wood, Neil Feeder, Frank H Allen
  • Theoretical Hydrogen-Bonding Analysis for Assessment of Physical Stability of Pharmaceutical Solid Forms / Yuriy A Abramov
  • Improving Force Field Parameters for Small-Molecule Conformation Generation / Dmitry Lupyan, Yuriy A Abramov, Woody Sherman
  • Advances in Crystal Structure Prediction and Applications to Pharmaceutical Materials / Graeme M Day
  • Integrating Computational Materials Science Tools in Form and Formulation Design / Joseph F Krzyzaniak, Paul A Meenan, Cheryl L Doherty, Klimentina Pencheva, Suman Luthra, Aurora Cruz-Cabeza
  • Current Computational Approaches at Astrazeneca for Solid-State and Property Predictions / Sten O Nilsson Lill, Staffan Schantz, Viktor Broo, Anders Broo
  • Synthonic Engineering / Kevin J Roberts, Robert B Hammond, Vasuki Ramachandran, Robert Docherty
  • New Developments in Prediction of Solid-State Solubility and Cocrystallization Using COSMO-RS Theory / Christoph Loschen, Andreas Klamt
  • Modeling and Prediction of Solid Solubility by GE Models / Larissa P Cunico, Anjan K Tula, Roberta Ceriani, Rafiqul Gani
  • Molecular Simulation Methods to Compute Intrinsic Aqueous Solubility of Crystalline Drug-Like Molecules / David S Palmer, Maxim V Fedorov
  • Calculation of NMR Tensors / Luís Mafra, Sérgio Santos, Mariana Sardo, Heather Frericks Schmidt
  • Molecular Dynamics Simulations of Amorphous Systems / Bradley D Anderson, Tian-Xiang Xiang
  • Numerical Simulations of Unit Operations in Pharmaceutical Solid Dose Manufacturing / Ekneet Kaur Sahni, Shivangi Naik, Bodhisattwa Chaudhuri.
Book
1 online resource.
  • Aims and Objectives
  • Materials and Methods
  • Development and Validation of High-Throughput Crystallisation and Analysis (HTCAA) Methodology for Physical Form Screening
  • Predicting Crystallisability of Organic Molecules Using Statistical Modelling Techniques
  • Exploring the Crystal Structure Landscape of Olanzapine
  • Exploring the Physical Form Landscape of Clozapine, Amoxapine and Loxapine
  • Conclusions and Further Work.
This thesis investigates a range of experimental and computational approaches to the discovery of solid forms. It illustrates an inexpensive, practical and accurate way to predict the crystallizability of organic compounds based on molecular structure alone, while also highlighting the molecular factors that inhibit or promote crystallization. Furthermore, readers will gain a better understanding of the key factors underpinning solid-state structure and diversity. A major part of the thesis highlights experimental work carried out on two structurally very similar compounds, while another main section examines the influence of small changes in structure and substituents on solid-state structure and diversity using computational tools including crystal structure prediction, PIXEL calculations, Xpac, Mercury and statistical modelling tools. In closing, the author presents a fast validated method for solid-state form screening using Raman microscopy on multi-well plates to explore the experimental crystallization space.
Book
1 online resource.
Following its successful predecessor, this book covers the fundamentals, delivery routes and vehicles, and practical applications of drug delivery. In the 2nd edition, almost all chapters from the previous are retained and updated and several new chapters added to make a more complete resource and reference. Helps readers understand progress in drug delivery research and applications Updates and expands coverage to reflect advances in materials for delivery vehicles, drug delivery approaches, and therapeutics Covers recent developments including transdermal and mucosal delivery, lymphatic system delivery, theranostics Adds new chapters on nanoparticles, controlled drug release systems, theranostics, protein and peptide drugs, and biologics delivery.
(source: Nielsen Book Data)9781118833360 20170313
Book
1 online resource (580 pages).
  • Front Cover; Drug-Like Properties: Concepts, Structure, Design, and Methods from ADME to Toxicity Optimization; Copyright; Dedication; Contents; Preface; Preface to Second Edition; Preface to First Edition; Chapter 1: Introduction; 1.1. Drug-like Properties in Drug Discovery; 1.2. Purpose of This Book; Problems; References; Chapter 2: Benefits of Property Assessment and Good Drug-Like Properties; 2.1. Introduction; 2.2. Discovery Scientists Optimize Many Properties; 2.3. Introduction to the Drug Discovery and Development Process; 2.4. Benefits of Good Drug-like Properties
  • 2.4.1. Reduced Development Attrition2.4.2. More Efficient Drug Discovery; 2.4.3. More Efficient Drug Development; 2.4.4. Higher Patient Compliance; 2.4.5. Improved Biological Research in Drug Discovery; 2.4.6. Enabled Partnerships for Drug Development; 2.4.7. Human Modeling and Clinical Planning; 2.4.8. Balance of Properties and Activity; 2.5. Property Profiling in Drug Discovery; 2.6. Drug-like Property Optimization in Drug Discovery; Problems; References; Chapter 3: In Vivo Environments Affect Drug Exposure; 3.1. Introduction; 3.2. Drug Dosing; 3.3. Stomach
  • 3.3.1. Gastric Acidic Degradation3.4. Intestinal Environment; 3.4.1. Dissolution Rate; 3.4.2. Solubility; 3.4.3. Permeability; 3.4.4. Intestinal Metabolism; 3.4.5. Intestinal Enzymatic Hydrolysis; 3.4.6. Absorption Enhancement in the Intestine; 3.5. Bloodstream; 3.5.1. Plasma Enzyme Hydrolysis; 3.5.2. Plasma Protein Binding; 3.5.3. Red Blood Cell Binding; 3.6. Liver; 3.6.1. Permeation into and out of Hepatocytes; 3.6.2. Hepatic Metabolism; 3.6.3. Biliary Extraction; 3.7. Kidney; 3.8. Blood-Tissue Barriers; 3.9. Tissue Distribution; 3.9.1. Nonspecific Binding in Tissue
  • 3.10. Consequences of Chirality3.11. Overview of in vivo Challenges to Drug Exposure; Problems; References; Chapter 4: Prediction Rules for Rapid Property Profiling from Structure; 4.1. Introduction; 4.2. General Concepts for Prediction Rules; 4.3. Rule of 5; 4.4. Veber Rules; 4.5. Waring Rules; 4.6. Golden Triangle; 4.7. Other Predictive Rules; 4.8. Application of Rules for Compound Assessment; 4.9. Applications of Predictive Rules; Problems; References; Chapter 5: Lipophilicity; 5.1. Lipophilicity Fundamentals; 5.2. Lipophilicity Effects
  • 5.3. Lipophilicity Case Studies and Structure Modification5.3.1. Lipophilicity Modification for Biological Activity; 5.3.2. Lipophilicity Modification for Pharmacokinetics; 5.3.3. Lipophilicity Modification for Toxicity; Problems; References; Chapter 6: pKa; 6.1. pKa Fundamentals; 6.2. pKa Effects; 6.2.1. pKa Affects Efficacy; 6.2.2. pKa Affects Pharmacokinetics; 6.2.3. pKa Affects Toxicity; 6.3. pKa Case Studies; 6.3.1. pKa and Activity Examples; 6.3.2. pKa and Pharmacokinetics Examples; 6.4. Structure Modification Strategies for pKa; Problems; References; Chapter 7: Solubility
Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, only a fraction have sufficient ADME (absorption, distribution, metabolism, elimination) properties, and acceptable toxicology properties, to become a drug product that will successfully complete human Phase I clinical trials. Drug-Like Properties: Concepts, Structure Design and Methods from ADME to Toxicity Optimization, Second Edition, provides scientists and students the background and tools to understand, discover, and develop optimal clinical candidates. This valuable resource explores physiochemical properties, including solubility and permeability, before exploring how compounds are absorbed, distributed, and metabolized safely and stably. Review chapters provide context and underscore the importance of key concepts such as pharmacokinetics, toxicity, the blood-brain barrier, diagnosing drug limitations, prodrugs, and formulation. Building on those foundations, this thoroughly updated revision covers a wide variety of current methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties for process and product improvement. From conducting key assays for interpretation and structural analysis, the reader learns to implement modification methods and improve each ADME property. Through valuable case studies, structure-property relationship descriptions, and structure modification strategies, Drug-Like Properties, Second Edition, offers tools and methods for ADME/Tox scientists through all aspects of drug research, discovery, design, development, and optimization.
Book
1 online resource
Book
1 online resource.
Pharmaceutical manufacturing was one of the first industries to recognize the importance of green chemistry, with pioneering work including green chemistry metrics and alternative solvents and reagents. Today, other topical factors also have to be taken into consideration, such as rapidly depleting resources, high energy costs and new legislation.This book addresses current challenges in modern green chemical technologies and sustainability thinking. It encompasses a broad range of topics covered by the CHEM21 project -- Europe's largest public-private partnership project which aims to develop a toolbox of sustainable technologies for green chemical intermediate manufacture. Divided into two sections, the book first gives an overview of the key green chemistry tools, guidance and considerations aimed at developing greener processes, before moving on to look at cutting-edge synthetic methodologies.Featuring innovative research, this book is an invaluable reference for chemists across academia and industry wanting to further their knowledge and understanding of this important topic.
Book
1 online resource. Digital: text file; PDF.
This book presents efficient and practical methods for the synthesis of various functionalized organic molecules from haloalkynes through different reaction processes such as cross-coupling reactions, nucleophilic additions and cycloadditions. It consists of four chapters demonstrating interesting examples of these transformations, and showcasing the synthetic power of haloalkynes for rapid assembly of complex molecular structures. Most of the protocols allow multiple bond-forming events to occur in a single operation, offering opportunities to advance chemical synthesis and address the increasing demands for green and sustainable chemistry. It also presents a wide range of functionalized products, including many synthetically useful conjugated cyclic and acyclic structures that have potential applications in materials science, chemical biology and natural product synthesis. This book is a valuable reference not only for organic chemists, but also for biologists and materials scientists involved in the modern synthesis of organic compounds and materials. Huanfeng Jiang and Wanqing Wu are both Professors at the School of Chemistry and Chemical Engineering, South China University of Technology, China. Chuanle Zhu is a Postdoctoral Fellow at the School of Chemistry and Chemical Engineering, South China University of Technology, China.
Book
xi, 220 pages : illustrations ; 24 cm.
Science Library (Li and Ma)
Book
xv, 341 pages : illustrations ; 26 cm.
  • Preface xi Contributors xiii PART I. INFECTIOUS DISEASES 1 Chapter 1. Entecavir (Baraclude): A Carbocyclic Nucleoside for the Treatment of Chronic Hepatitis B 3 1 Background 3 2 Pharmacology 5 3 Structure Activity Relationship (SAR) 6 4 Pharmacokinetics and Drug Metabolism 7 5 Efficacy and Safety 8 6 Syntheses 8 7 References 14 Chapter 2. Telaprevir (Incivek) and Boceprevir (Victrelis): NS3/4A Inhibitors for Treatment for Hepatitis C Virus (HCV) 15 1 Background 16 2 Pharmacology 16 3 Structure Activity Relationship (SAR) 17 4 PK and Drug Metabolism 20 5 Efficacy and Safety 22 6 Synthesis 24 7 Conclusions 38 8 References 39 Chapter 3. Daclatasvir (Daklinza): The First-in-Class HCV NS5A Replication Complex Inhibitor 43 1 Background 43 2 Discovery Medicinal Chemistry 45 3 Mode of Action 48 4 Pharmacokinetics and Drug Metabolism 49 5 Efficacy and Safety 49 6 Syntheses 52 7 References 57 Chapter 4. Sofosbuvir (Sovaldi): The First-in-Class HCV NS5B Nucleotide Polymerase Inhibitor 61 1 Background 61 2 Pharmacology 63 3 Structure Activity Relationship (SAR) 64 4 Pharmacokinetics and Drug Metabolism 68 5 Efficacy and Safety 69 6 Syntheses 72 7 Summary 76 8 References 76 Chapter 5. Bedaquiline (Sirturo): A Diarylquinoline that Blocks Tuberculosis ATP Synthase for the Treatment of Multi-Drug Resistant Tuberculosis 81 1 Background 81 2 Pharmacology 84 3 Structure Activity Relationship (SAR) 85 4 Pharmacokinetics and Drug Metabolism 86 5 Efficacy and Safety 87 6 Syntheses 88 7 References 96 PART II. CANCER 99 Chapter 6. Enzalutamide (Xtandi): An Androgen Receptor Antagonist for Late-Stage Prostate Cancer 101 1 Background 101 2 Pharmacology 103 3 Structure Activity Relationship (SAR) 104 4 Pharmacokinetics and Drug Metabolism 108 5 Efficacy and Safety 109 6 Synthesis 111 7 Compounds in Development 114 8 References 115 Chapter 7. Crizotinib (Xalkori): The First-in-Class ALK/ROS Inhibitor for Non-small Cell Lung Cancer 119 1 Background: Non-small Cell Lung Cancer (NSCLC) Treatment 119 2 Discovery Medicinal Chemistry Effort: SAR and Lead Optimization of Compound 2 as a c-Met Inhibitor 120 3 ALK and ROS in Non-small Cell Lung Cancer (NSCLC) Treatment 127 4 Preclinical Model Tumor Growth Inhibition Efficacy and Pharmacology 127 5 Human Clinical Trials 128 6 Introduction to the Synthesis and Limitations of the Discovery Route to Crizotinib Analogs 129 7 Process Chemistry: Initial Improvements 131 8 Process Chemistry: Enabling Route to Crizotinib 135 9 Development of the Commercial Process 141 10 Commercial Synthesis of Crizotinib 147 11 References 152 Chapter 8. Ibrutinib (Imbruvica): The First-in-Class Btk Inhibitor for Mantle Cell Lymphoma, Chronic Lymphocytic Leukemia, and Waldenstrom's Macroglobulinemia 157 1 Background 157 2 Pharmacology 159 3 Structure Activity Relationship (SAR) 159 4 Pharmacokinetics and Drug Metabolism 161 5 Efficacy and Safety 161 6 Syntheses 162 7 References 164 Chapter 9. Palbociclib (Ibrance): The First-in-Class CDK4/6 Inhibitor for Breast Cancer 167 1 Background 167 2 Pharmacology 168 3 Discovery Program 169 4 Preclinical Profile of Palbociclib 175 5 Clinical Profile of Palbociclib 176 6 Early Process Development for Palbociclib 177 7 Commercial Process for Preparation of Palbociclib 192 8 References 193 PART III. CARDIOVASCULAR DISEASES 197 Chapter 10. Ticagrelor (Brilinta) and Dabigatran Etexilate (Pradaxa): P2Y12 Platelet Inhibitors as Anti-coagulants 199 1 Introduction 200 2 Dabigatran Etexilate 200 3 Ticagrelor 207 4 The Future 219 5 References 220 PART IV. CNS DRUGS 223 Chapter 11. Suvorexant (BELSOMRA): The First-in-Class Orexin Antagonist for Insomnia 225 1 Background 225 2 Pharmacology 229 3 Pharmacokinetics and Drug Metabolism 230 4 Efficacy and Safety 231 5 Structure Activity Relationship (SAR) 231 6 Synthesis 233 7 References 239 Chapter 12. Lorcaserin (Belviq): Serotonin 2C Receptor Agonist for the Treatment of Obesity 243 1 Background 243 2 Pharmacology 245 3 Structure Activity Relationship (SAR) 246 4 Pharmacokinetics and Drug Metabolism 248 5 Efficacy and Safety 249 6 Synthesis 250 7 References 253 Chapter 13. Fingolimod (Gilenya): The First Oral Treatment for Multiple Sclerosis 255 1 Background 255 2 Structure Activity Relationship (SAR) 257 3 Pharmacology 259 4 Human Pharmacokinetics and Drug Metabolism 260 5 Efficacy and Safety 261 6 Syntheses 263 7 Summary 268 8 References 269 Chapter 14. Perampanel (Fycompa): AMPA Receptor Antagonist for the Treatment of Seizure 271 1 Background 271 2 Pharmacology 273 3 Structure Activity Relationship (SAR) 274 4 Pharmacokinetics and Drug Metabolism 276 5 Efficacy and Safety 277 6 Syntheses 278 7 References 280 PART V. ANTI-INFLAMMATORY DRUGS 283 Chapter 15. Tofacitinib (Xeljanz): The First-in-Class JAK Inhibitor for the Treatment of Rheumatoid Arthritis 285 1 Background 285 2 Structure Activity Relationships (SAR) 287 3 Safety, Pharmacology and Pharmacokinetics 289 4 Syntheses 290 5 Development of the Commercial Manufacturing Process 292 6 References 300 PART VI. MISCELLANEOUS DRUGS 303 Chapter 16. Ivacaftor (Kalydeco): A CFTR Potentiator for the Treatment of Cystic Fibrosis 305 1 Background 305 2 Pharmacology 306 3 Structure Activity Relationship (SAR) 307 4 Pharmacokinetics and Drug Metabolism 308 5 Efficacy and Safety 310 6 Syntheses 311 7 References 315 Chapter 17. Febuxostat (Uloric): A Xanthine Oxidase Inhibitor for the Treatment of Gout 317 1 Background 317 2 Pharmacology 319 3 Structure Activity Relationship (SAR) 320 4 Pharmacokinetics and Drug Metabolism 321 5 Efficacy and Safety 322 6 Syntheses 323 7 Drug in Development: Lesinurad Sodium 328 8 References 330 Index 331.
  • (source: Nielsen Book Data)9781118820056 20160619
This book covers all aspects of the medicinal chemistry of the latest drugs, and the cutting-edge science associated with them. Following the editors 3 successful drug synthesis books, this provides expert analysis of the pros and cons of different synthetic routes and demystifies the process of modern drug discovery for practitioners and researchers. * Summarizes for each drug: respective disease area, important properties and SAR (structure-activity relationship), and chemical synthesis routes / options * Includes case studies in each chapter * Illustrates how chemistry, biology, pharmacokinetics, and a host of disciplines come together to produce successful medicines * Explains the advantages of process synthesis versus the synthetic route for drug discovery.
(source: Nielsen Book Data)9781118820056 20160619
Science Library (Li and Ma)
Book
1 online resource.
  • Introduction to Lead Generation. Introduction: Learnings from the Past : Characteristics of Successful Leads / Mike Hann
  • Modern Lead Generation Strategies / Jörg Holenz, Dean G Brown
  • The Importance of Target Identification for Generating Successful Leads. "Ligandability" of Drug Targets: Assessment of Chemical Tractability via Experimental and Approaches / Udo Bauer, Alexander L Breeze
  • Chemistry-Driven Target Identification / Iván Cornella-Taracido, Ryan Hicks, Ola Engkvist, J Adam Hendricks, Ronald Tomlinson, M Paola Castaldi
  • Hit Generation Methods. Lead Generation Based on Compound Collection Screening / Dirk Weigelt, Ismet Dorange
  • Fragment-Based Lead Generation / Ivan V Efremov, Daniel A Erlanson
  • Rational Hit Generation / Bernd Wellenzohn, Alexander Weber
  • Competitive Intelligence-based Lead Generation and Fast Follower Approaches / Yu Jiang, Ziping Liu, Jörg Holenz, Hua Yang
  • Selective Optimization of Side Activities: An Alternative and Promising Strategy for Lead Generation / Norbert Handler, Andrea Wolkerstorfer, Helmut Buschmann
  • Lead Generation for Challenging Targets / Jinqiao Wan, Dengfeng Dou, Hongmei Song, Xian-Hui Wu Xuemin Cheng, Jin Li
  • Collaborative Approaches to Lead Generation / Fabrizio Giordanetto, Anna Karawajczyk, Graham Showell
  • Converting Hits to Successful Leads. A Medicinal Chemistry Perspective on the Hit-to-Lead Phase in the Current Era of Drug Discovery / Dean G Brown
  • Molecular Recognition and Its Importance for Fragment-Based Lead Generation and Hit-to-Lead / Thorsten Nowak
  • Affinity-Based Screening Methodologies and Their Application in the Hit-to-Lead Phase / Stefan Geschwindner
  • Predictive Methods in Lead Generation / Matthew D Segall, Peter Hunt
  • Lead Quality / J Willem M Nissink, Sebastien Degorce, Ken Page
  • Hypothesis-driven Lead Optimization. The Strategies and Politics of Successful Design, Make, Test, and Analyze (DMTA) Cycles in Lead Generation / Steven S Wesolowski, Dean G Brown
  • Recent Lead Generation Success Stories. Lead Generation Paved the Way for the Discovery of a Novel H Inverse Agonist Clinical Candidate / Christophe Genicot, Laurent Provins
  • Vorapaxar: From Lead Identification to FDA Approval / Samuel Chackalamannil, Mariappan Chelliah
  • Lead Generation Approaches Delivering Inhaled [beta]-Adrenoreceptor Agonist Drug Candidates / Michael Stocks, Lilian Alcaraz
  • GPR81 HTS Case Study / Eric Wellner, Ola Fjellström
  • Development of Influenza Virus Sialidase Inhibitors / Mauro Pascolutti, Robin J Thomson, Mark von Itzstein
  • The Discovery of Cathepsin A Inhibitors: A Project-Adapted Fragment Approach Based on HTS Results / Sven Ruf, Christian Buning, Herman Schreuder, Wolfgang Linz, Dominik Linz, Hartmut Rütten, Georg Horstick, Markus Kohlmann, Katja Kroll, Klaus Wirth, Thorsten Sadowski
  • Lead Structure Discovery for Neglected Diseases: Product Development Partnerships Driving Drug Discovery / Jeremy N Burrows, Takushi Kaneko
  • A Fragmentation Enumeration Approach to Generating Novel Drug Leads / Pravin S Iyer, Manoranjan Panda.
In this comprehensive two-volume resource on the topic senior lead generation medicinal chemists present a coherent view of the current methods and strategies in industrial and academic lead generation. This is the first book to combine both standard and innovative approaches in comparable breadth and depth, including several recent successful lead generation case studies published here for the first time. Beginning with a general discussion of the underlying principles and strategies, individual lead generation approaches are described in detail, highlighting their strengths and weaknesses, along with all relevant bordering disciplines like e.g. target identification and validation, predictive methods, molecular recognition or lead quality matrices. Novel lead generation approaches for challenging targets like DNA-encoded library screening or chemical biology approaches are treated here side by side with established methods as high throughput and affinity screening, knowledge- or fragment-based lead generation, and collaborative approaches. Within the entire book, a very strong focus is given to highlight the application of the presented methods, so that the reader will be able to learn from real life examples. The final part of the book presents several lead generation case studies taken from different therapeutic fields, including diabetes, cardiovascular and respiratory diseases, neuroscience, infection and tropical diseases. The result is a prime knowledge resource for medicinal chemists and for every scientist involved in lead generation.
(source: Nielsen Book Data)9783527333295 20170313
Video
1 online resource (1 streaming video file (32 min.) : color, sound).
  • Contents: Graph theory and molecular structure representations
  • Molecular descriptors
  • High-throughput and virtual screening
  • Clustering and diversity selection methods
  • QSAR: quantitative structure-activity relationship models
  • Multiobjective de novo design.
Book
1 online resource (x, 263 p.) : ill. (some color). Digital: text file; PDF.
  • Nanostructured systems for fluorescence imaging applications.- Luminescent silica nanoparticles for optical imaging.- Gold-based nanomaterials for applications in nanomedicine.- Core-shell polymer nanoparticles for photodynamic therapy of cancer.- Photoactivable surfaces for biomedical applications.- Up-converting nanoparticles for drug delivery.- Quantum dots for biomedical applications.- Engineered nanoconstructs for multimodal phototherapy.
  • (source: Nielsen Book Data)9783319229416 20160619
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
(source: Nielsen Book Data)9783319229416 20160619

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