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BL
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| Record Number
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622440
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dltt
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| Title & Author
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The practice of medicinal chemistry /\ edited by Camille Georges Wermuth, David Aldous, Pierre Raboisson, Didier Rognan
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| Edition Statement
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Fourth edition
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| Page. NO
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xxii, 880 pages :: illustrations ;; 29 cm
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| ISBN
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9780124172050
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: 0124172059
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| Bibliographies/Indexes
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Includes bibliographical references and index
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| Contents
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Machine generated contents note: I.General Aspects Of Medicinal Chemistry -- 1.Medicinal Chemistry: Definitions and Objectives, Drug Activity Phases, Drug Classification Systems / Peter Imming -- I.Definitions and Objectives -- II.Drug Activity Phases -- III.Drug Classification Systems -- References -- 2.Evaluation of the Biological Activity of Compounds: Techniques and Mechanism of Action Studies / John Unitt -- I.Introduction -- II.Drug Discovery Approaches and Screening Cascades -- III.In Vitro Assays -- IV.Ex Vivo Assays -- V.In Vivo Assays -- Acknowledgements -- References -- 3.Drug Targets, Target Identification, Validation, and Screening / Walter M.M. Van Den Broeck -- I.Introduction -- II.What is a Drug Target? -- III.The Purpose of Target Identification -- IV.Target Options and Treatment Options -- V.Target Deconvolution and Target Discovery -- VI.Methods for Target Identification and Validation -- VII.Target Validation -- VIII.Conclusion -- References --
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Note continued: II.Lead Compound Discovery Strategies -- 4.Strategies in the Search for New Lead Compounds or Original Working Hypotheses / Jean-Philippe Rocher -- I.Introduction -- II.First Strategy: Analog Design -- III.Second Strategy: Systematic Screening -- IV.Third Strategy: Exploitation of Biological Information -- V.Fourth Strategy: Planned Research and Rational Approaches -- VI.Fifth Strategy: Applying Biophysical Technologies and Computational Methods -- VII.Conclusion -- References -- 5.Natural Products as Pharmaceuticals and Sources for Lead Structures / David G.I. Kingston -- I.Introduction -- II.The Importance of Natural Products in Drug Discovery and Development -- III.The Design of an Effective Natural-Products-Based Approach to Drug Discovery -- IV.Examples of Natural Products or Analogues as Drugs -- V.Future Directions in Natural Products as Drugs and Drug Design Templates -- VI.Summary -- References --
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Note continued: 6.In Silico Screening: Hit Finding from Database Mining / Gisbert Schneider -- I.Introduction -- II.In Silico Screening -- III.De Novo Design -- IV.Conclusions and Future Directions -- Glossary -- References -- 7.Fragment-Based Drug Discovery / Allen B. Reitz -- I.Ligand -- Protein Interactions: First Principles -- II.What is Fragment-Based Drug Discovery? -- III.Creation and Analysis of FBDD Libraries -- IV.Fragment Screening Methods -- V.Other Biochemical and Biophysical Methods -- VI.Fragment Merging/Linking/Growing -- VII.Fragment Hit Follow-Up, and Pitfalls to Avoid -- VIII.Zelboraf®, First Approved Drug from FBDD -- IX.Limitations of FBDD -- X.Trends for the Future -- References -- 8.Molecular Variations Based on Isosteric Replacements / Bruno Giethlen -- I.Introduction -- II.History: Development of the Isosterism Concept -- III.Currently Encountered Isosteric and Bioisosteric Modifications -- IV.Scaffold Hopping --
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Note continued: V.Analysis of the Modifications Resulting from Isosterism -- VI.Minor Metalloids-Toxic Isosteres -- References -- 9.Ring Transformations / Camille G. Wermuth -- I.Introduction -- II.Analogical Approaches -- III.Disjunctive Approaches -- IV.Conjunctive Approaches -- V.Conclusion -- References -- 10.Macrocycles: Under-Explored and Poorly Exploited Drug Class Despite the Proven Therapeutic Potential / Pierre Raboisson -- I.Nature as a Source of Macrocycles -- II.Identification of Macrocyclic Drugs Using Either Phenotypic Screen or Target-Based Approach -- III.Macrocycles: The Drugs in the Middle Space -- IV.Effect of the Macrocyclization on Drug-Like Properties -- V.Interaction of Macrocycles with their Targets -- VI.Synthesis of Macrocycles & Library Enrichment -- VII.Conclusion -- References -- III.Primary Exploration Of Structure-Activity Relationships -- 11.Conformational Restriction and Steric Hindrance in Medicinal Chemistry / Andre Mann --
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Note continued: I.Introduction -- II.Case Studies -- III.Summary and Outlook -- References -- 12.Application Strategies for the Primary Structure -- Activity Relationship Exploration / Jean-Philippe Rocher -- I.Introduction -- II.Preliminary Considerations -- III.Hit Optimization Strategies -- IV.Application Rules -- References -- 13.Substituent Groups / Camille G. Wermuth -- I.Introduction -- II.Methyl Groups -- III.Effects of Unsaturated Groups -- IV.Effects of Halogenation -- V.Effects of Hydroxylation -- VI.Effects of Thiols and Other Sulfur-Containing Groups -- VII.Acidic Functions -- VIII.Basic Groups -- IX.Attachment of Additional Binding Sites -- References -- 14.The Role of Functional Groups in Drug -- Receptor Interactions / Laurent Schaeffer -- I.Introduction -- II.General Principles -- III.The Importance of the Electrostatic and Steric Match Between Drug and Receptor -- IV.The Strengths of Functional Group Contributions to Drug -- Receptor Interactions --
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Note continued: V.Cooperative Binding -- References -- 15.Compound Properties and their Influence on Drug Quality / Thierry Kogej -- I.Introduction -- II.Compound Drug-Likeness Analysis -- III.Compound Promiscuity -- IV.Compound ADMET Properties -- V.Ligand Binding Efficiency Metrics -- VI.Conclusions and Future Outlook -- References -- 16.Pharmacological Space / Andrew L. Hopkins -- I.What is Pharmacological Space? -- II.Chemical Space -- III.Target Space -- IV.Conclusions -- Acknowledgments -- References -- 17.Systems Biology: A New Paradigm for Drug Discovery / Olivier Taboureau -- I.Introduction -- II.Drug-Target Space (off-target) -- III.Systems Biology Space -- IV.Phenotype Space -- V.Examples -- VI.Conclusion -- References -- IV.Substituents And Functions: Qualitative Aspects Of Structure-Activity Relationships -- 18.Optical Isomerism in Drugs / Camille G. Wermuth -- I.Introduction -- II.Experimental Facts and their Interpretation --
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Note continued: III.Optical Isomerism and Pharmacodynamic Aspects -- IV.Optical Isomerism and Pharmacokinetic Aspects -- V.Practical Considerations -- References -- 19.Multitarget Drugs: Strategies and Challenges for Medicinal Chemists / Zoran Rankovic -- I.Introduction -- II.Strategies for Lead Generation -- III.Main Areas of Focus in Discovery -- IV.Optimization of the Activity Profile and Wider Selectivity -- V.The Physicochemical Challenge -- VI.Summary -- References -- 20.Selective Optimization of Side Activities (SOSA) in Drug Discovery / Tim Jonckers -- I.Introduction -- II.Ritonavir: Rejuvenating a Suboptimal Drug -- III.Sildenafil, Side Effects are Not Always Bad -- IV.Nucleotide Prodrugs: Chemical Trojan Horses -- V.Miltefosine -- VI.Aztreonam -- VII.Conclusions -- References -- V.Spatial Organization, Receptor Mapping And Molecular Modeling -- 21.Pharmacophore Identification and Pseudo-Receptor Modeling / Wolfgang Sippl -- I.Introduction -- II.Methodology --
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Note continued: III.Advanced Approaches -- IV.Application Study: Novel Histamine H3-Receptor Antagonists -- V.Recent Developments and Outlook -- VI.Conclusions -- References -- 22.Protein Crystallography and Drug Discovery / Herman Schreuder -- I.Introduction -- II.Historical Background -- III.Basic Principles and Methods of Protein Crystallography -- IV.Applications -- V.Two Selected Examples -- VI.Outlook -- References -- 23.Physiological Aspects Determining the Pharmacokinetic Properties of Drugs / Johan Van De Voorde -- I.Introduction -- II.Passage of Drugs Through Biological Barriers -- III.Drug Absorption -- IV.Drug Distribution -- V.Drug Elimination -- VI.Some Pharmacokinetic Parameters and Terminology -- VII.Variability in Pharmacokinetics -- Further Reading -- 24.Biotransformation Reactions and their Enzymes / Bernd Clement -- I.Introduction -- II.Functionalization Reactions -- III.Conjugation Reactions -- IV.Biological Factors Influencing Drug Metabolism --
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Note continued: V.What is the Relative Significance of These Many Types of Metabolic Reactions? -- VI.Concluding Remarks -- References -- 25.Biotransformations Leading to Toxic Metabolites: Chemical Aspects / Patrick M. Dansette -- I.Historical Background -- II.Introduction -- III.Reactions Involved in Bioactivation Processes -- IV.Examples of Metabolic Conversions Leading to Toxic Metabolites -- V.Conclusion -- Acknowledgments -- References -- 26.Drug Transport Mechanisms and their Impact on the Disposition and Effects of Drugs / Jean-Michel Scherrmann -- I.Introduction -- II.Biology and Function of Transporters -- III.Transporters in Drug Disposition -- IV.Roles of Transporters in Drug Pharmacokinetics, Pharmacodynamics and Toxicology -- V.Conclusion -- Acknowledgments -- References -- 27.Strategies for Enhancing Oral Bioavailability and Brain Penetration / Gerhard Gross -- I.Introduction -- II.Enhancing Oral Bioavailability -- III.Enhancing Brain Penetration --
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Note continued: References -- 28.Designing Prodrugs and Bioprecursors / Camille G. Wermuth -- I.Introduction -- II.The Different Kinds of Prodrugs -- III.Practical Applications of Carrier Prodrugs -- IV.Unique Approaches to Carrier Prodrug Design -- V.Bioprecursor Prodrug Examples -- VI.Discussion -- VII.Difficulties and Limitations -- VIII.Conclusion -- References -- VI.Chemical Modifications Influencing The Pharmacokinetic Properties -- 29.Drug Delivery with Organic Solvents or Colloidal Dispersed Systems / Bernd U. Riebesehl -- I.Introduction -- II.Physicochemical Drug Properties -- III.Oral Drug Delivery -- IV.Parenteral Drug Delivery -- References -- 30.Preparation of Water-Soluble Compounds by Covalent Attachment of Solubilizing Moieties / Dominique Lesuisse -- I.Introduction -- II.Solubilization Strategies -- III.Acidic Solubilizing Chains -- IV.Basic Solubilizing Chains -- V.Nonionizable Side Chains -- VI.Concluding Remarks -- References --
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Note continued: 31.Improving the Water-Solubility of Compounds by Molecular Modification to Disrupt Crystal Packing / Yuichi Hashimoto -- I.Introduction -- II.Rationale for Disruption of Crystal Packing as an Alternative Method to Improve Solubility -- III.Improvement of Solubility by Disrupting Intermolecular Hydrogen Bonds -- IV.Improvement of Solubility by Disrupting Molecular Planarity -- V.Improvement of Solubility by Bending the Molecular Structure -- VI.Advantages of Improving Solubility by Molecular Modification to Weaken Intermolecular Interaction -- VII.Conclusion -- References -- 32.Chemical and Physicochemical Approaches to Solve Formulation Problems / N. Murti Vemuri -- I.Introduction -- II.Stability -- III.Bioavailability -- IV.Modifying the Duration of Action -- V.Manufacturing Issues -- VI.Adapting to Patient's Needs -- References -- 33.Discover a Drug Substance, Formulate, and Develop It to a Product / Bernard Faller -- I.Introduction --
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Note continued: II.The Discovery Phase -- III.Defining Experimental Formulations, the Creative Phase -- IV.Preparation for a New Drug-Product Launch -- V.Conclusion: Drug Discovery and Development in Industry -- Reference -- VII.Pharmaceutical And Chemical Means To Solubility And Formulation Problems -- 34.Drug Nomenclature / Sabine Kopp -- I.Introduction -- II.Trade Names and Nonproprietary Names -- III.Drug Nomenclature -- IV.Use and Protection of Nonproprietary Names -- V.Summary -- References -- Annex -- 35.Web Alert: Using the Internet for Medicinal Chemistry / David Cavalla -- I.Introduction -- II.Blogs -- III.Wikis -- IV.Compound Information -- V.Biological Properties of Compounds -- VI.Drug Information -- VII.Physical Chemical Information -- VIII.Prediction and Calculation of Molecular Properties -- IX.Chemical Suppliers -- X.Chemical Synthesis -- XI.Chemoinformatics Software Programs -- XII.Chemical Analysis -- XIII.Chemical Publications --
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Note continued: XIV.Patent Information -- XV.Toxicology -- XVI.Meta-Sites and Technology Service Provider Databases -- XVII.Conclusion -- 36.Protection of Inventions in Medicinal Chemistry / Christopher Brice -- I.Patents and the Medicinal Chemist -- II.What Kinds of Medical Inventions can be Patented? -- III.The Basics of Patent Law -- IV.The Role of the Medicinal Chemist in the Patent Arena -- V.Patents as a Source of Scientific Information -- VI.Other Forms of Protection -- VII.Conclusion
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| Subject
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Chemistry, Pharmaceutical
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| Subject
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Pharmaceutical Preparations-- chemistry
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Models, Chemical
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Pharmaceutical chemistry
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| Subject
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Drugs-- Design
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| Dewey Classification
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615.1/9
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| LC Classification
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RS403.P68 2015
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| NLM classification
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2015 H-924
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QV 744
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| Added Entry
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Wermuth, C. G.
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Aldous, David, (David John)
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Raboisson, Pierre
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Rognan, Didier
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