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.
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.
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.
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.
xi, 220 pages : illustrations ; 24 cm.
Chemistry & ChemEng Library (Swain)
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)
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)
Chemistry & ChemEng Library (Swain)
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)
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)
1 online resource.
  • Introduction.- Ring-Opening Reactions of Aminocyclopropanes.- Synthesis and [4+2] Annulation of Aminocyclobutanes.- Conclusions and Outlook.- Experimental Part.
  • (source: Nielsen Book Data)
This thesis presents a general approach to accessing nitrogen-substituted hetero- and carbocycles. In short, the annulation reactions developed in the thesis make it possible to access nitrogen-substituted four-, five- and six-membered rings, all essential building blocks for the synthesis of bioactive molecules. Many natural products display a saturated polycyclic core allowing a well-defined arrangement of functional groups in space. As such, they can interact with biological targets with a high degree of affinity and selectivity, surpassing many synthetic drugs. Nevertheless, the efficient synthesis of such complex ring systems poses a challenge for organic chemistry. Through careful tuning of the electronic properties of a nitrogen donor group and a diester acceptor group, the first [3+2] annulation reaction between aminocyclopropanes and enol ethers or carbonyl compounds is now possible. The reaction proceeded under mild catalytic conditions, and the building blocks obtained can be found at the core of bioactive alkaloids, drugs such as Ramipril and biomolecules such as DNA and RNA. Thanks to the dynamic kinetic asymmetric annulation of aminocyclopropanes with enol ethers and aldehydes, access to enantioenriched compounds is also now possible. Lastly, a synthesis of donor-acceptor aminocyclobutanes via [2+2] cycloaddition using a cheap iron catalyst was developed, allowing them to be used in [4+2] annulations to access cyclohexylamines.
(source: Nielsen Book Data)
1 online resource.
  • Cover; Title Page; Copyright Page; Contents; List of Contributors; About the Editor; Preface; Chapter 1
  • Origin of Chinmedomics; 1.1
  • Introduction; 1.2
  • Application and Challenges of TCM; 1.3
  • Metabolomics: An Overview; 1.4
  • Process of the Serum Pharmacochemistry of TCM; 1.5
  • Establishment and Evolution of Chinmedomics; 1.6
  • Potential Value of Chinmedomics; 1.7
  • Future Perspectives; References; Chapter 2
  • Methods and Protocols of Chinmedomics; 2.1
  • Introduction; 2.2
  • Analytical Technologies; 2.3
  • Sampling; 2.4
  • Data Extraction and Analysis
  • 2.5
  • Marker Identification and Validation2.6
  • Correlation Analysis between Marker Metabolites and Absorbed Chemical Components; 2.7
  • Goals for Chinmedomics; 2.7.1
  • Biological Mechanisms of the TCM Syndrome; 2.7.2
  • Pharmacological Effects of Formulae; 2.7.3
  • Correlation Analysis of Formulae and Syndrome for Effective Substances; 2.8
  • Chinmedomics for Yinchenhao Tang: A Case Study; 2.9
  • Conclusions; References; Chapter 3
  • Chinmedomics Advancing Drug Discovery and Development from Yinchenhao Tang; 3.1
  • Introduction; 3.2
  • Experimental Detail; 3.2.1
  • Chemicals and Materials
  • 3.2.2
  • Metabolomics Study3.2.2.1
  • Animals Handling;
  • Metabolomics Analysis Platform; 3.2.3
  • Constituents Analysis Using Serum Pharmacochemistry;
  • Animals;
  • Preparation of YCHT Samples for LC/MS Analysis In Vitro and In Vivo;
  • Instrumentation and Conditions;
  • Q-TOF/MS analysis;
  • Data Processing; 3.2.4
  • Correlation Analysis between Marker Metabolites and Absorbed Constituents; 3.2.5
  • Cell Test to Verify the Efficacy of Chemical Components Correlated with Therapeutic Effect;
  • Chemicals and Reagents
  • Isolation of Hepatocytes3.2.5.3
  • Cell Culture and Treatment;
  • Flow Cytometric Analysis;
  • Statistical Analyses; 3.3
  • Results and Discussions; 3.3.1
  • Metabolomics Analysis of Protective Function of YCHT; 3.3.2
  • LC/MS Analysis for YCHT Samples In Vitro and In Vivo;
  • Optimization of MS Conditions;
  • UPLC-UV-Q-TOF Analysis of YCHT;
  • UPLC-UV-Q-TOF Analysis of Plasma Sample after Oral YCHT Administration; 3.3.3
  • Correlation Analysis between Marker Metabolites and Absorbed Chemical Components
  • 3.3.4
  • Cell Test to Verify the Therapeutic Efficacy of the Correlated Chemical Components3.4
  • Conclusions; Chapter 4
  • Chinmedomics Approach Dissects Therapeutic Properties of ShenQiWan Acting on ShenYangXu Syndrome; 4.1
  • Introduction; 4.2
  • Experimental Detail; 4.2.1
  • Chemicals and Materials; 4.2.2
  • Metabolomics Study;
  • Animal Handling;
  • Sample Collection and Preparation;
  • UPLC-Q-TOF-HDMS Analysis;
  • Metabolic Profiling and Metabolite Analysis; 4.2.3
  • Constituents Analysis In Vitro and In Vivo;
  • Animals
  • Preparation of SQW Samples for Analysis
Chinmedomics: The Integration of Serum Pharmacochemistry and Metabolomics to Elucidate the Scientific Value of Traditional Chinese Medicine uses new experimental techniques and research to open doors in drug discovery and development related to traditional Chinese medicine (TCM). This book features a unique approach that combines chemometric analysis with metabolomics studies to illuminate significant changes that have occurred in syndrome states while simultaneously analyzing the efficacy of chemical ingredients in herbal medicines. Chapters provide cutting-edge information on traditional medicine, analytical technology, natural products, metabolomics, bioinformatics and their applications. This book provides a valuable resource for pharmacologists, pharmaceutical scientists, medicinal plant researchers, pharmacognosists and chemists working with TCM and highlights ways to further research and advances in this area in the future. * Presents a practical guide for new practitioners of Chinmedomics with insights on the current use and future development of this method* Each chapter includes an introduction, method, references to the latest literature, possible mechanisms of action and applications* Edited by the leading experts of research related to Chinmedomics.
(source: Nielsen Book Data)
online resource (xxii, 385 pages) : illustrations (some color)
  • Ch. 1. Origin of Chinmedomics
  • Ch. 2. Methods and protocols of Chinmedomics
  • Ch. 3. Chinmedomics advancing drug discovery and development from Yinchenhao Tang
  • Ch. 4. Chinmedomics approach dissects therapeutic properties of ShenQiWan acting on ShenYangXu Syndrome
  • Ch. 5. Metabolic profiling and biomarkers analysis of jaundice syndrome
  • Ch. 6. Metabolic profiling and biomarkers analysis of GanYu PiXu Syndrome
  • Ch. 7. Metabolic profiling and biomarkers of Yinhuang Syndrome and evaluation of Yinchensini Tang
  • Ch. 8. Metabolite profiling and biomarkers analysis of jaundice sydrome-related animal models
  • Ch. 9. Metabolomic evaluation of hepatoprotective effect of Yinchenhao Tang and its major bioactive constituents
  • Ch. 10. Metabolomics and proteomics annotate therapeutic mechanisms of geniposide
  • Ch. 11. Metabolic profiling and potential biomarkers of ShenYinXu Syndrome and the therapeutic effect of Liuweidihuang Wan
  • Ch. 12. Metabolic profiling of healthy persons treated with Liuweidihuang Wan
  • Ch. 13. Metabolic profiling and potential biomarkers analysis of ShenYangXu Syndrome
  • Ch. 14. Metabolic evaluation of ShenQiWan nourishing ShenYangXu Syndrome
  • Ch. 15. Metabolic profiling and biomarkers analysis of XinQiXu Syndrome
  • Ch. 16. Active constituents screening based on correlation analysis between marker metabolites and the absorbed constituents in WenXin formulae
  • Ch. 17. Targeted synergism effects of the combined active constituents of Yinchenhao Tang
  • Ch. 18. Metabolic profiling and biomarkers of Type 2 Diabetes and the effective evaluation of the Tinaqi Jiangtang capsule
  • Ch. 19. Metabolic biomarkers of alcohol liver damage and the intervention effect of Yinchenhao Tang
  • Ch. 20. Metabolic profiling and biomarkers analysis of insomnia and the intervention effects of Suanzaoren Decoction and its related active ingredients
  • Ch. 21. Metabolic biomarkers of nonbacterial prostatisis and the treatment evaluation of Phellodendri Amurensis cortex and its main components
  • Ch. 22. Metabolic profiling provides a system for the understanding of Alzheimer's Disease in rates post-treatment with Kaixin San
  • Ch. 23. Metabolic profiles delineate the effect of Shengmai San on Alzheimer's Disease in rats
  • Subject Index.
Medical Library (Lane)
1 online resource.
  • Introduction: The Five Ws of Pharmaceutical Green Chemistry-- Barriers to Adopting Green Chemistry in Drug Discovery-- Toward a Green Laboratory: One Reaction at a Time-- Greener Solvent Usage for-- Discovery Chemistry Analysis and Purification-- Green Chemistry and High Throughput Screening-- Continuous Processing in Drug Discovery-- Applying Green Chemistry Principles in Biologics Drug Development-- Recycling and Reuse in the Laboratory-- The Need for a Green Electronic Lab Notebook-- Toxicology for Chemical Safety and Sustainability-- Environmental Regulations and the Green Chemist-- Patent Protection and Green Chemistry Innovation-- The Business Case for Green Chemistry in Drug Discovery.
  • (source: Nielsen Book Data)
The incorporation of Green Chemistry is a relatively new phenomenon in the drug discovery discipline, since the scale that chemists operate on in drug discovery is smaller than those of process and manufacturing chemistry. The necessary metrics are more difficult to obtain in drug discovery due to the diversity of reactions conducted. However, pharmaceutical companies are realizing that incorporation of green chemistry techniques at earlier stages of drug development can speed the development of a drug candidate. Written by experts who have pioneered green chemistry efforts within their own institutions, this book provides a practical guide for both academic and industrial labs wanting to know where to start with introducing greener approaches for greatest return on investment. The Editors have taken a comprehensive approach to the topic, covering the entire drug discovery process from molecule conception, through synthesis, formulation and toxicology with specific examples and case studies where green chemistry strategies have been implemented. Emerging techniques for performing greener drug discovery chemistry are addressed as well as cutting-edge topics like biologics discovery and continuous processing. Moreover, important surrounding issues such as intellectual property are included. This book serves as a practical guide for both academic and industrial chemists who work across the breadth of the drug discovery discipline. Ultimately, readers will learn how to incorporate green chemistry strategies into their everyday workflow without slowing down their science.
(source: Nielsen Book Data)
xxxiii, 753 p. : ill. (some col.) ; 26 cm.
  • Introduction-- Library design-- Physicochemical properties and drug design-- Computational chemistry-- Structure-based drug design-- Fragment based design-- QSAR-- Drug metabolism-- Pharmacokinetics-- Molecular biology-- Computational biology-- In vitro-- In vivo-- Translational science-- Assays-- Toxicology-- Intellectual property-- Modern drug design-- Lead generation-- Lead optimisation-- Predictive toxicology-- Pharmaceutical development-- Process research-- Project management-- Clinical development-- Case Study 1-- Case Study 2-- Case Study 3.
  • (source: Nielsen Book Data)
Drug discovery is a constantly developing and expanding area of research. Developed to provide a comprehensive guide, the Handbook of Medicinal Chemistry covers the past, present and future of the entire drug development process. Highlighting the recent successes and failures in drug discovery, the book helps readers to understand the factors governing modern drug discovery from the initial concept through to a marketed medicine. With chapters covering a wide range of topics from drug discovery processes and optimization, development of synthetic routes, pharmaceutical properties and computational biology, the handbook aims to enable medicinal chemists to apply their academic understanding to every aspect of drug discovery. Each chapter includes expert advice to not only provide a rigorous understanding of the principles being discussed, but to provide useful hints and tips gained from within the pharmaceutical industry. This expertise, combined with project case studies, highlighting and discussing all areas of successful projects, make this an essential handbook for all those involved in pharmaceutical development. A free app has been created in collaboration with the editors of the book. The Medicinal Chemistry Toolkit provides a suite of resources to support the day to day work of a medicinal chemist. Search the App store for "Medicinal Chemistry Toolkit.".
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
1 online resource Digital: text file; PDF.
  • Preface-- Chanelling drug discovery-- Chanome old and new-- High throughput screening-- Automated electrophysiology-- Structure/crystallization/modeling studies-- Toxins - does nature do ion channel drug discovery better than us? Structure and function of Sodium Channels, pharmacophores and binding sites-- AMPA modulators - a case history-- Inhibition of the epithelial sodium channel (ENaC) as a therapeutic approach to respiratory disease-- CFTR channel modulation as a therapeutic approach-- TRPs are a pain: a case history on TRPV1 antagonist development-- The Retigabine story - the M current to therapeutically useful anticonvulsant-- Icrac and Orai - a STIMulating channel-- hERG past, present and future? Antibodies as ion channel modulators-- Summary and the future-- Index.
  • (source: Nielsen Book Data)
Ion channel drug discovery is a rapidly evolving field fuelled by recent, but significant, advances in our understanding of ion channel function combined with enabling technologies such as automated electrophysiology. The resurgent interest in this target class by both pharmaceutical and academic scientists was clearly highlighted by the over-subscribed RSC/BPS 'Ion Channels as Therapeutic Targets' symposium in February 2009. This book builds on the platform created by that meeting, covering themes including advances in screening technology, ion channel structure and modelling and up-to-date case histories of the discovery of modulators of a range of channels, both voltage-gated and non-voltage-gated channels. The editors have built an extensive network of contacts in the field through their first-hand scientific experience, collaborations and conference participation and the organisation of the meeting at Novartis, Horsham, increased the network enabling the editors to draw on the experience of eminent researchers in the field. Interest and investment in ion channel modulation in both industrial and academic settings continues to grow as new therapeutic opportunities are identified and realised for ion channel modulation. This book provides a reference text by covering a combination of recent advances in the field, from technological and medicinal chemistry perspectives, as well as providing an introduction to the new 'ion channel drug discoverer'. The book has contributions from highly respected academic researchers, industrial researchers at the cutting edge of drug discovery and experts in enabling technology. This combination provides a complete picture of the field of interest to a wide range of readers.
(source: Nielsen Book Data)
1 online resource (767 p.)
Medicinal Chemistry of Anticancer Drugs, Second Edition, provides an updated treatment from the point of view of medicinal chemistry and drug design, focusing on the mechanism of action of antitumor drugs from the molecular level, and on the relationship between chemical structure and chemical and biochemical reactivity of antitumor agents. Antitumor chemotherapy is a very active field of research, and a huge amount of information on the topic is generated every year. Cytotoxic chemotherapy is gradually being supplemented by a new generation of drugs that recognize specific targets on the surface or inside cancer cells, and resistance to antitumor drugs continues to be investigated. While these therapies are in their infancy, they hold promise of more effective therapies with fewer side effects. Although many books are available that deal with clinical aspects of cancer chemotherapy, this book provides a sorely needed update from the point of view of medicinal chemistry and drug design. * Presents information in a clear and concise way using a large number of figures* Historical background provides insights on how the process of drug discovery in the anticancer field has evolved* Extensive references to primary literature.
(source: Nielsen Book Data)
1 online resource (252 pages) : illustrations
1 online resource (xi, 240 pages) : illustrations (some color).
  • Preface.- List of Contributors.- Engineering G Protein-Coupled Receptors for Drug Design-- M. Congreve et al.- Structural Insights into Activation and Allosteric Modulation of G Protein-Coupled Receptors-- A.C. Kruse.- Epigenetic Drug Discovery-- Chun-wa Chung.- Crystallography and Biopharmaceuticals-- R. Pauptit.- Structural Chemistry and Molecular Modeling in the Design of DPP4 Inhibitors-- G. Scapin.- Considerations for Structure-Based Drug Design Targeting HIV-1 Reverse Transcriptase-- E. Arnold et al.-Protein-Ligand Interactions as the Basis for Drug Action-- G. Klebe.- The Protein Data Bank: Overview and Tools for Drug Discovery-- H. M. Berman et al.- Small Molecule Crystal Structures in Drug Discovery-- C. Groom.- Protein Aggregation and its Prediction-- R. Grana-Montes, S.Ventura.- Importance of Protonation States for the Binding of Ligands to Pharmaceutical Targets-- A. Podjarny, E. Howard.- Protein-Protein Interactions: Structures and Druggability-- D.B. Ascher et al.- Achieving High Quality Ligand Chemistry in Protein-Ligand Crystal Structures for Drug Design-- O.S. Smart, G. Bricogne.- Molecular Obesity, Potency and Other Addictions in Drug Discovery-- M.M. Hann.- Adventures in Small Molecule Fragment Screening by X-ray Crystallography for Drug Discovery-- J.D. Bauman et al.- Structure-Based Drug Design to Perturb Function of a tRNA-Modifying Enzyme by Active Site and Protein-Protein Interface Inhibition-- G. Klebe.- Molecular Interaction Analysis for Discovery of Drugs Targeting Enzymes and for Resolving Biological Function-- U.H. Danielson.
  • (source: Nielsen Book Data)
The present work offers a snapshot of the state-of-the-art of crystallographic, analytical, and computational methods used in modern drug design and development. Topics discussed include: drug design against complex systems (membrane proteins, cell surface receptors, epigenetic targets, and ribosomes); modulation of protein-protein interactions; the impact of small molecule structures in drug discovery and the application of concepts such as molecular geometry, conformation, and flexibility to drug design; methodologies for understanding and characterizing protein states and protein-ligand interactions during the drug design process; and monoclonal antibody therapies. These methods are illustrated through their application to problems of medical and biological significance, such as viral and bacterial infections, diabetes, autoimmune disease, and CNS diseases. As approaches to drug discovery have changed over time, so have the methodologies used to solve the varied, new, and difficult problems encountered in drug discovery. In recent years we have seen great progress in the fields of genetics, biology, chemistry, and medicine, but there are still many unmet medical needs, from bacterial infections to cancer to chronic maladies, that require novel, different, or better therapies. This work will be of interest to researchers and policy makers interested in the latest developments in drug design.
(source: Nielsen Book Data)
1 online resource.
  • The Pharmaceutical Industry and the Future of Drug Development-- Distribution of Pharmaceutical Residues in the Environment-- Pharmaceuticals in the Marine Environment-- Sources of Residues in the Environment and their Control-- Persistence of Pharmaceutical Residues both in Sewage Treatment Works and the Receiving Environment-- Ecotoxicology, Environmental Risk Assessment and Potential Impact on Human Health-- Impacts of Pharmaceuticals on Terrestrial Wildlife-- Veterinary Pharmaceuticals.
  • (source: Nielsen Book Data)
Medicines play an important role in the treatment and prevention of disease in humans and animals, but residues from these medicines can be released into the environment through a number of routes during their manufacture, use and disposal. It is only recently that the potential environmental impacts of this exposure to pharmaceuticals are being considered. The book explores where pharmaceutical residues can be found, e.g. in surface waters, drinking water, sediments and the marine environment; the sources of these residues, from manufacture through to disposal of unused medicines; how these residues break down; and how this all impacts on wildlife and human health. In reviewing the current position and examining further possible impacts, this book is an important reference for researchers working in the pharmaceutical industry, as well as for environmentalists, policy makers and students on pharmacy and environmental science courses wanting to better understand the impacts of pharmaceuticals on the environment.
(source: Nielsen Book Data)
online resource (x, 878 pages) : illustrations (some color)
  • Preface
  • Introduction
  • Prescription assessment
  • Availability of medicines
  • Oral solids
  • Oral liquids
  • Pulmonary
  • Oropharynx
  • Nose
  • Ear
  • Eye
  • Rectal and vaginal
  • Dermal
  • Parenteral
  • Irrigation and dialysis
  • Product design
  • Biopharmaceutics
  • Quality risk management
  • Physical chemistry
  • Microbiology
  • Statistics
  • Radiopharmacy
  • Stability
  • Raw materials
  • Containers
  • Human resources
  • Occupational health and safety
  • Premises
  • Equipment
  • Basic operations
  • Sterilisation methods
  • Aseptic handling
  • Quality requirements and analysis
  • Documentation
  • Production, Validation Quality Control
  • Quality systems
  • Logistics
  • Instructions for the use of medicines
  • Impact on Environment
  • Information sources
  • Index.
Medical Library (Lane)
1 online resource (975 pages) : illustrations.
  • Preface 1. Introduction Yvonne Bouwman, V'Iain Fenton-May 2. Prescription assessment Andrew Lowey, Stefanie Melhorn 3.Availability of medicines Helena Jenzer, V'Iain Fenton-May 4.Oral solids Minna Helin-Tanninen, Joao Pinto 5.Oral liquids Antje Lein, Shiwai Ng 6.Pulmonary Anne de Boer, Ernst Eber 7.Oropharynx Suzy Dreijer 8.Nose Suzy Dreijer, Anita Hafner 9.Ear Suzy Dreijer, Monya Gantumur 10.Eye Annick Ludwig, Holger Reimann 11.Rectal and vaginal Stineke Haas, Herman Woerdenbag, Malgorzata Sznitowska 12.Dermal Antje Lein, Christien Oussoren 13.Parenteral Marija Tubic, Irene Kramer 14.Irrigation and dialysis Daan Touw, Olga Mucicova 15.Product design Herman Vromans, Giovanni Pauletti 16.Biopharmaceutics Erik Frijlink, Daan Touw, Herman Woerdenbag 17.Quality risk management Yvonne Bouwman, Lilli Moller Andersen 18.Physical chemistry Wouter Hinrichs, Suzy Dreijer 19.Microbiology Hans van Doorne, Alexandra Staerk, David Roesti 20. Statistics Herman J Wynne, Hans van Rooij 21.Radiopharmacy Rogier Lange, Marco Prins, Adrie de Jong 22.Stability DaanTouw, Jean Vigneron 23.Raw materials Roel Bouwman, Richard Bateman 24.Containers Jan Dillingh, Julian Smith 25.Human resources Jan de Smidt, Hans van Rooij 26.Occupational health and safety Sylvie Crauste-Manciet, Shiwai Ng, Yvonne Bouwman 27.Premises Willem Boeke, Paul Le Brun 28.Equipment Marco Prins, Willem Boeke, Claudio Zanotto 29.Basic operations Herman Woerdenbag, Malgorzata Snitowska, Yvonne Bouwman 30.Sterilisation methods Marco Prins, Mattias Paulsson 31.Aseptic handling Frits Boom, Alison Beaney 32.Quality requirements and analysis Oscar Smeets, Mark Santillo 33.Documentation Rik Wagenaar, Mark Santillo 34.Production, Validation Quality Control Rogier Lange, Lilli Moller Andersen 35.Quality systems Yvonne Bouwman, Lilli Moller Andersen 36.Logistics V'Iain Fenton May, Hana Snajdrova 37.Instructions for the use of medicines Suzy Dreijer, Anthony Sinclair 38.Impact on Environment Bengt Mattson, Tessa Brandsema 39.Information sources Doerine Postma, Sin Ying Chuah Index.
  • (source: Nielsen Book Data)
This book contains essential knowledge on the preparation, control, logistics, dispensing and use of medicines. It features chapters written by experienced pharmacists working in hospitals and academia throughout Europe, complete with practical examples as well as information on current EU-legislation. From prescription to production, from usage instructions to procurement and the impact of medicines on the environment, the book provides step-by-step coverage that will help a wide range of readers. It offers product knowledge for all pharmacists working directly with patients and it will enable them to make the appropriate medicine available, to store medicines properly, to adapt medicines if necessary and to dispense medicines with the appropriate information to inform patients and caregivers about product care and how to maintain their quality. This basic knowledge will also be of help to industrial pharmacists to remind and focus them on the application of the medicines manufactured. The basic and practical knowledge on the design, preparation and quality management of medicines can directly be applied by the pharmacists whose main duty is production in community and hospital pharmacies and industries. Undergraduate as well as graduate pharmacy students will find knowledge and backgrounds in a fully coherent way and fully supported with examples.
(source: Nielsen Book Data)
1 online resource.
The Practice of Medicinal Chemistry, Fourth Edition provides a practical and comprehensive overview of the daily issues facing pharmaceutical researchers and chemists. In addition to its thorough treatment of basic medicinal chemistry principles, this updated edition has been revised to provide new and expanded coverage of the latest technologies and approaches in drug discovery. With topics like high content screening, scoring, docking, binding free energy calculations, polypharmacology, QSAR, chemical collections and databases, and much more, this book is the go-to reference for all academic and pharmaceutical researchers who need a complete understanding of medicinal chemistry and its application to drug discovery and development. * Includes updated and expanded material on systems biology, chemogenomics, computer-aided drug design, and other important recent advances in the field* Incorporates extensive color figures, case studies, and practical examples to help users gain a further understanding of key concepts * Provides high-quality content in a comprehensive manner, including contributions from international chapter authors to illustrate the global nature of medicinal chemistry and drug development research* An image bank is available for instructors at
(source: Nielsen Book Data)

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