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  • 1
    Book
    Book
    Heidelberg [u.a.] :Spektrum, Akad. Verl.,
    UID:
    almafu_BV010897051
    Format: XXII, 599 S. : Ill., graph. Darst.
    ISBN: 3-8274-0012-0 , 3-8274-0174-7
    Series Statement: Spektrum-Lehrbuch
    Language: German
    Subjects: Chemistry/Pharmacy
    RVK:
    RVK:
    RVK:
    Keywords: Arzneimitteldesign ; Arzneimittelforschung
    Author information: Klebe, Gerhard
    Author information: Kubinyi, Hugo 1940-
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  • 2
    Book
    Book
    Heidelberg [u.a.] :Spektrum, Akad. Verl.,
    UID:
    almafu_BV016934588
    Format: XXII, 599 S. : Ill., graph. Darst.
    Edition: Unveränd. Nachdr. der 1. Aufl. 1996
    ISBN: 978-3-8274-1353-6 , 3-8274-1353-2
    Series Statement: Spektrum-Lehrbuch
    Later: Später u.d.T. Klebe, Gerhard Wirkstoffdesign
    Language: German
    Subjects: Chemistry/Pharmacy
    RVK:
    RVK:
    Keywords: Arzneimitteldesign ; Arzneimittelforschung
    Author information: Klebe, Gerhard
    Author information: Kubinyi, Hugo 1940-
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  • 3
    UID:
    almahu_BV025154860
    Format: XXVIII, 759 S.
    ISBN: 90-72199-14-6
    Language: English
    Subjects: Chemistry/Pharmacy
    RVK:
    Author information: Kubinyi, Hugo, 1940-
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  • 4
    Online Resource
    Online Resource
    Weinheim ; : VCH,
    UID:
    almahu_9948197095502882
    Format: 1 online resource (xii, 240 pages) : , illustrations
    Edition: Electronic reproduction. [Place of publication not identified] : HathiTrust Digital Library, 2010.
    ISBN: 9783527616824 , 3527616829 , 9783527616831 , 3527616837
    Series Statement: Methods and principles in medicinal chemistry ; v. 1
    Content: Finding the new remedy for a certain disease: an inspired goal. QSAR, an invaluable tool in drug design, aids scientists to attain this aim. This book is a long-awaited comprehensive text to QSAR and related approaches. It provides a practice-oriented introduction to the theory, methods and analyses for QSAR relationships, including modelling-based and 3D approaches. Hugo Kubinyi is a leading expert in QSAR. Readers will benefit from the author's 20 years of practical experience, from his careful calculations and recalculations of thousands of QSAR equations. Among the topics covered are:. - p.
    Note: QSAR: Hansch Analysis and Related Approaches; Content; 1. Introduction; 2. Biological Data. The Additivity of Group Contributions; 3. Parameters; 4. Quantitative Models; 5. Statistical Methods; 6. Design of Test Series in QSAR; 7. Applications of Hansch Analysis; 8. Applications of Free Wilson Analysis and Related Models; 9. 3D QSAR Approaches; 10. Summary and Conclusions; References; Index. , Master and use copy. Digital master created according to Benchmark for Faithful Digital Reproductions of Monographs and Serials, Version 1. Digital Library Federation, December 2002.
    Additional Edition: Print version: Kubinyi, Hugo. QSAR. Weinheim ; New York : VCH, ©1993 ISBN 352730035X
    Additional Edition: ISBN 9783527300358
    Language: English
    Subjects: Chemistry/Pharmacy
    RVK:
    Keywords: Electronic books. ; Electronic books. ; Electronic books.
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  • 5
    Online Resource
    Online Resource
    Weinheim :Wiley-VCH,
    UID:
    almafu_9959327517402883
    Format: 1 online resource (641 pages)
    ISBN: 9783527630943 , 3527630945 , 9783527630950 , 3527630953 , 9783527318117 , 3527318119
    Series Statement: Methods and principles in medicinal chemistry
    Content: In this ground-breaking practical reference, the family of aspartic acid proteases is described from a drug developer's perspective. The first part provides a general introduction to the family of aspartic acid proteases, their physiological functions, molecular structure and inhibition. Parts two to five present various case studies of successful protease inhibitor drug design and development, as well as current and potential uses of such inhibitors in pharmaceutical medicine, covering the major therapeutic targets HIV-1 protease, renin, beta-secretase, gamma-secretase, plasmepsins and fungal.
    Note: Overview of Aspartic Acid Proteases. Introduction to the Aspartic Proteinase Family / Ben M Dunn -- Aspartic Proteases: Structure, Function, and Inhibition / Jordan Tang -- Human Aspartic Proteinases / John Kay, Daniel Bur -- Structure-Based Drug Design Strategies for Inhibition of Aspartic Proteinases / Jon B Cooper -- HIV-1 Protease as Target for the Treatment of HIV/AIDS. HIV-1 Protease: Role in Viral Replication, Protein-Ligand X-Ray Crystal Structures and Inhibitor Design / Irene T Weber, Yuan-Fang Wang -- First-Generation HIV-1 Protease Inhibitors for the Treatment of HIV/AIDS / Scott C Virgil -- Second-Generation Approved HIV Protease Inhibitors for the Treatment of HIV/AIDS / Arun K Ghosh, Bruno D Chapsal -- Darunavir, a New PI with Dual Mechanism: From a Novel Drug Design Concept to New Hope against Drug-Resistant HIV / Arun K Ghosh, Bruno D Chapsal, Hiroaki Mitsuya -- Development of HIV-1 Protease Inhibitors, Antiretroviral Resistance, and Current Challenges of HIV/AIDS Management / Hiroaki Mitsuya, Arun K Ghosh -- Renin as Target for the Treatment of Hypertension. Discovery and Development of Aliskiren, the First-in-Class Direct Renin Inhibitor for the Treatment of Hypertension / Jeanette M Wood, Jurgen Maibaum -- Evolution of Diverse Classes of Renin Inhibitors through the Years / Colin M Tice, Suresh B Singh -- [beta]-Secretase as Target for the Treatment of Alzheimer's Disease. [beta]-Secretase: An Unusual Enzyme with Many Possible Disease Targets, Including Alzheimer's Disease / Johan Lundkvist, Urban Lendahl -- [beta]-Secretase Inhibition: An Overview of Development of Inhibitors for the Treatment of Alzheimer's Disease / Christopher L Hamblett, Sanjiv Shah, Richard Heidebrecht, Benito Munoz -- [beta]- Secretase as Target for the Treatment of Alzheimer's Disease. BACE: A (Almost) Perfect Target for Staving off Alzheimer's Disease / Sukanto Sinha -- The Discovery of [beta]- Secretase and Development toward a Clinical Inhibitor for AD: An Exciting Academic Collaboration / Jordan Tang, Lin Hong, Arun K Ghosh -- Peptidomimetic BACE1 Inhibitors for Treatment of Alzheimer's Disease: Design and Evolution / Ulrich Iserloh, Jared N Cumming -- Nonpeptide BACE1 Inhibitors: Design and Synthesis / Derek C Cole, Matthew G Bursavich -- Plasmepsins and Other Aspartic Proteases as Drug Targets. The Plasmepsin Family as Antimalarial Drug Targets / Adam J Ruben, Yoshiaki Kiso, Ernesto Freire -- Plasmepsins Inhibitors as Potential Drugs against Malaria: Starving the Parasite / Sandra Gemma -- Fungal Aspartic Proteases as Possible Therapeutic Targets / Michel Monod, Peter Staib, Utz Reichard, Olivier Jousson -- Index.
    Additional Edition: Print version: Ghosh, Arun K. Aspartic Acid Proteases as Therapeutic Targets. Weinheim : Wiley-VCH, 2010 ISBN 9783527630950
    Language: English
    Keywords: Electronic books. ; Electronic books. ; Electronic books.
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  • 6
    UID:
    almafu_9959327513802883
    Format: 1 online resource (522 pages)
    ISBN: 9783527633166 , 3527633162 , 9783527633173 , 3527633170 , 1283140578 , 9781283140577 , 9783527326037 , 3527326030
    Series Statement: Methods and Principles in Medicinal Chemistry ; [47]
    Content: This topical reference and handbook addresses the chemistry, pharmacology, toxicology and the patentability of prodrugs, perfectly mirroring the integrated approach prevalent in today's drug design. It summarizes current experiences and strategies for the rational design of prodrugs, beginning at the early stages of the development process, as well as discussing organ- and site-selective prodrugs. Every company employing medicinal chemists will be interested in this practice-oriented overview of a key strategy in modern drug discovery and development.
    Note: Front Matter -- Prodrug Design and Intellectual Property. Prodrug Strategies in Drug Design / Jarkko Rautio -- The Molecular Design of Prodrugs by Functional Group / Victor R Guarino -- Intellectual Property Primer on Pharmaceutical Patents with a Special Emphasis on Prodrugs and Metabolites / Eyal H Barash -- Prodrugs Addressing ADMET Issues. Increasing Lipophilicity for Oral Drug Delivery / Majid Y Moridani -- Modulating Solubility Through Prodrugs for Oral and IV Drug Delivery / Victor R Guarino -- Prodrugs Designed to Target Transporters for Oral Drug Delivery / Mark S Warren, Jarkko Rautio -- Topical and Transdermal Delivery Using Prodrugs: Mechanism of Enhancement / Kenneth Sloan, Scott C Wasdo, Susruta Majumdar -- Ocular Delivery Using Prodrugs / Deep Kwatra, Ravi Vaishya, Ripal Gaudana, Jwala Jwala, Ashim K Mitra -- Reducing Presystemic Drug Metabolism / Majid Y Moridani -- Enzyme-Activated Prodrug Strategies for Site-Selective Drug Delivery / Krista Laine, Kristiina Huttunen -- Prodrug Approaches for Central Nervous System Delivery / Quentin R Smith, Paul R Lockman -- Directed Enzyme Prodrug Therapies / Dan Niculescu-Duvaz, Gabriel Negoita-Giras, Ion Niculescu-Duvaz, Douglas Hedley, Caroline J Springer -- Codrugs and Soft Drugs. Improving the Use of Drug Combinations Through the Codrug Approach / Peter A Crooks, Harpreet K Dhooper, Ujjwal Chakraborty -- Soft Drugs / Paul W Erhardt, Michael D Reese -- Preclinical and Clinical Consideration for Prodrugs. Pharmacokinetic and Biopharmaceutical Considerations in Prodrug Discovery and Development / John P O'Donnell -- The Impact of Pharmacogenetics on the Clinical Outcomes of Prodrugs / Jane P F Bai, Mike Pacanowski, Atiqur Rahman, Lawrence L Lesko -- Index. , Prodrugs and Targeted Delivery: Towards Better ADME Properties; Contents; List of Contributors; Preface; A Personal Foreword; Part One: Prodrug Design and Intellectual Property; 1 Prodrug Strategies in Drug Design; 2 The Molecular Design of Prodrugs by Functional Group; 3 Intellectual Property Primer on Pharmaceutical Patents with a Special Emphasis on Prodrugs and Metabolites; Part Two: Prodrugs Addressing ADMET Issues; 4 Increasing Lipophilicity for Oral Drug Delivery; 5 Modulating Solubility Through Prodrugs for Oral and IV Drug Delivery. , 6 Prodrugs Designed to Target Transporters for Oral Drug Delivery7 Topical and Transdermal Delivery Using Prodrugs: Mechanism of Enhancement; 8 Ocular Delivery Using Prodrugs; 9 Reducing Presystemic Drug Metabolism; 10 Enzyme-Activated Prodrug Strategies for Site-Selective Drug Delivery; 11 Prodrug Approaches for Central Nervous System Delivery; 12 Directed Enzyme Prodrug Therapies; Part Three: Codrugs and Soft Drugs; 13 Improving the Use of Drug Combinations Through the Codrug Approach; 14 Soft Drugs; Part Four: Preclinical and Clinical Consideration for Prodrugs. , 15 Pharmacokinetic and Biopharmaceutical Considerations in Prodrug Discovery and Development16 The Impact of Pharmacogenetics on the Clinical Outcomes of Prodrugs; Index.
    Additional Edition: Print version: Rautio, Jarkko. Prodrugs and Targeted Delivery. Weinheim : Wiley-VCH, 2010 ISBN 9783527633173
    Language: English
    Keywords: Electronic books. ; Electronic books. ; Electronic books.
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  • 7
    UID:
    almafu_9959327377302883
    Format: 1 online resource (xxv, 404 pages) : , illustrations (some color)
    ISBN: 9783527674190 , 3527674195 , 9783527674183 , 3527674187 , 9783527674206 , 3527674209 , 9783527336081 , 3527336087 , 9783527674213 , 3527674217
    Series Statement: Methods and Principles in Medicinal Chemistry ; v. 64
    Content: Tailored to the needs of drug developers, this one-stop reference for medicinal chemists covers all the latest developments in the field of predictive toxicology and its applications in safety assessment. With a keen emphasis on novel approaches, the topics have been tackled by selected expert scientists, who are familiar with the theoretical scientific background as well as with the practical application of current methods. Emerging technologies in toxicity assessment are introduced and evaluated in terms of their predictive power, with separate sections on computer predictions and simulation.
    Note: Introduction to Predictive Toxicology Tools and Methods / Laura Suter-Dick and Friedlieb Pfannkuch -- In silico toxicology : Current Approaches and Future Perspectives to Predict Toxic Effects with Computational Tools / Thomas Steger-Hartmann -- In silico approaches: Data Management : Bioinformatics / Arnd Brandenburg, Hans Gmuender, and Timo Wittenberger -- Role of Modeling and Simulation in Toxicology Prediction / Antje-Christine Walz, Hans Peter Grimm, Christophe Meille, Antonello Caruso, Neil Parrott, and Thierry Lavé -- Genomic Applications for Assessing Toxicities of Liver and Kidney Injury / Philip Hewitt and Esther Johann -- Use of Toxicogenomics for Mechanistic Characterization of Hepatocarcinogens in Shorter Term Studies / Heidrun Ellinger-Ziegelbauer -- Discovery and Application of Novel Biomarkers / Timothy W. Gant, Emma L. Marczylo, and Martin O. Leonard -- Predictive Toxicology: Genetics, Genomics, Epigenetics, and Next-Generation Sequencing in Toxicology / Tobias Heckel and Laura Suter-Dick -- Biomarkers as Tools for Predictive Safety Assessment: Novel Markers of Drug-Induced Kidney Injury / Angela Mally -- The Use of Renal Cell Culture for Nephrotoxicity Investigations / Anja Wilmes and Paul Jennings -- The Zebrafish Model in Toxicology / Natalie Mesens -- Predictive Method Development: Challenges for Cosmetics and Genotoxicity as a Case Study / Gladys Ouédraogo, Fabrice Nesslany, Sophie Simar, Smail Talahari, Doris Lagache, Eric Vercauteren, Lauren Nakab, Astrid Mayoux, Brigitte Faquet, and Nicole Flamand -- Using Pluripotent Stem Cells and Their Progeny as an in vitro Model to Assess (Developmental) Neurotoxicity / Lisa Hoelting, Marcel Leist, and Luc Stoppini -- Stem Cell-Based Methods for Identifying Developmental Toxicity Potential / Jessica A. Palmer, Robert E. Burrier, Laura A. Egnash, and Elizabeth L.R. Donley -- Immunogenicity of Protein Therapeutics: Risk Assessment and Risk Mitigation / Harald Kropshofer -- Regulatory Aspects / Beatriz Silva Lima.
    Additional Edition: Print version: Pfannkuch, Friedlieb. Predictive Toxicology : From Vision to Reality, Volume 64. Hoboken : Wiley, ©2014 ISBN 9783527336081
    Language: English
    Keywords: Electronic books. ; Electronic book. ; Electronic books. ; Electronic books.
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  • 8
    UID:
    almafu_9959329144702883
    Format: 1 online resource
    ISBN: 9783527654307 , 3527654305 , 9783527654338 , 352765433X
    Series Statement: Methods and principles in medicinal chemistry ; v. 54
    Content: Written with the practicing medicinal chemist in mind, this is the first modern handbook to systematically address the topic of bioisosterism. As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in preclinical drug development. The first part provides an overview of bioisosterism, classical bioisosteres and typical molecular interactions that need to be considered, while the second part describes a number of molecular databases as sources of bioisosteric identification and rationalization. The third part covers the four key methodologi.
    Note: Front Matter -- Principles. Bioisosterism in Medicinal Chemistry / Nathan Brown -- Classical Bioisosteres / Caterina Barillari, Nathan Brown -- Consequences of Bioisosteric Replacement / Dennis A Smith, David S Millan -- Data. B: A Database of Bioisosteres and Bioanalogues / Istv̀n Ujv̀ry, Julian Hayward -- Mining the Cambridge Structural Database for Bioisosteres / Colin R Groom, Tjelvar S G Olsson, John W Liebeschuetz, David A Bardwell, Ian J Bruno, Frank H Allen -- Mining for Context-Sensitive Bioisosteric Replacements in Large Chemical Databases / George Papadatos, Michael J Bodkin, Valerie J Gillet, Peter Willett -- Methods. Physicochemical Properties / Peter Ertl -- Molecular Topology / Nathan Brown -- Molecular Shape / Pedro J Ballester, Nathan Brown -- Protein Structure / James E J Mills -- Applications. The Drug Guru Project / Kent D Stewart, Jason Shanley, Karam B Alsayyed Ahmed, J Phillip Bowen -- Bioisosteres of an NPY-Y5 Antagonist / Nicholas P Barton, Benjamin R Bellenie -- Perspectives from Medicinal Chemistry / Nicholas A Meanwell, Marcus Gastreich, Matthias Rarey, Mike Devereux, Paul L A Popelier, Gisbert Schneider, Peter Willett -- Index. , Bioisosteres in Medicinal Chemistry; Contents; List of Contributors; Preface; A Personal Foreword; Part One: Principles; 1 Bioisosterism in Medicinal Chemistry; 1.1 Introduction; 1.2 Isosterism; 1.3 Bioisosterism; 1.4 Bioisosterism in Lead Optimization; 1.4.1 Common Replacements in Medicinal Chemistry; 1.4.2 Structure-Based Drug Design; 1.4.3 Multiobjective Optimization; 1.5 Conclusions; References; 2 Classical Bioisosteres; 2.1 Introduction; 2.2 Historical Background; 2.3 Classical Bioisosteres; 2.3.1 Monovalent Atoms and Groups; 2.3.2 Bivalent Atoms and Groups. , 2.3.3 Trivalent Atoms and Groups; 2.3.4 Tetravalent Atoms; 2.3.5 Ring Equivalents; 2.4 Nonclassical Bioisosteres; 2.4.1 Carbonyl Group; 2.4.2 Carboxylic Acid; 2.4.3 Hydroxyl Group; 2.4.4 Catechol; 2.4.5 Halogens; 2.4.6 Amide and Esters; 2.4.7 Thiourea; 2.4.8 Pyridine; 2.4.9 Cyclic Versus Noncyclic Systems; 2.5 Summary; References; 3 Consequences of Bioisosteric Replacement; 3.1 Introduction; 3.2 Bioisosteric Groupings to Improve Permeability; 3.3 Bioisosteric Groupings to Lower Intrinsic Clearance; 3.4 Bioisosteric Groupings to Improve Target Potency; 3.5 Conclusions and Future Perspectives. , 4.3.3.6 Component Molecules and Fragments; 4.4 Examples; 4.4.1 Benzodioxole Bioisosteres; 4.4.2 Phenol Bioisosteres; 4.4.3 Ketoamides; 4.5 Applications; 4.6 Summary; 4.7 Appendix; References; 5 Mining the Cambridge Structural Database for Bioisosteres; 5.1 Introduction; 5.2 The Cambridge Structural Database; 5.3 The Cambridge Structural Database System; 5.3.1 ConQuest; 5.3.2 Mercury; 5.3.3 WebCSD; 5.3.4 Knowledge-Based Libraries Derived from the CSD; 5.4 The Relevance of the CSD to Drug Discovery; 5.5 Assessing Bioisosteres: Conformational Aspects. , 5.6 Assessing Bioisosteres: Nonbonded Interactions; 5.7 Finding Bioisosteres in the CSD: Scaffold Hopping and Fragment Linking; 5.7.1 Scaffold Hopping; 5.7.2 Fragment Linking; 5.8 A Case Study: Bioisosterism of 1H-Tetrazole and Carboxylic Acid Groups; 5.8.1 Conformational Mimicry; 5.8.2 Intermolecular Interactions; 5.9 Conclusions; References; 6 Mining for Context-Sensitive Bioisosteric Replacements in Large Chemical Databases; 6.1 Introduction; 6.2 Definitions; 6.3 Background; 6.4 Materials and Methods; 6.4.1 Human Microsomal Metabolic Stability; 6.4.2 Data Preprocessing. , 6.4.3 Generation of Matched Molecular Pairs.
    Additional Edition: Print version: Bioisosteres in medicinal chemistry. Hoboken : John Wiley & Sons, 2012 ISBN 9783527654338
    Language: English
    Keywords: Electronic books. ; Electronic books. ; Electronic books.
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  • 9
    UID:
    almafu_9959328724002883
    Format: 1 online resource (xxiv, 463 pages) : , illustrations (some color), portrait
    ISBN: 3527604022 , 9783527604029 , 3527603948 , 9783527603947
    Series Statement: Methods and principles in medicinal chemistry ; v. 22
    Content: Chemogenomics brings together the most powerful concepts in modern chemistry and biology, linking combinatorial chemistry with genomics and proteomics. The first reference devoted to the topic, this up-to-date resource covers all stages of the early drug discovery process, from target selection to compound library and lead design. With the combined expertise of 20 research groups from academia and from leading pharmaceutical companies, this book is a must-have for every drug developer and medicinal chemist applying the powerful methods of chemogenomics to speed up the drug discovery process.
    Note: Target family-directed masterkeyes in chemogenomics / , Drug discovery from side effects / , The value of chemical genetics in drug discovery / , Structural aspects of binding site similarity: a 3D upgrade for chemogenomics / , The contribution of molecular informatics to chemogenomics: knowledge-based discovery of biological targets and chemical lead compounds / , Chemical kinomics / , Structural aspects of kinases and their inhibitors / , A chemical genomics approach for ion channel modulators / , Phosphodiesterase inhibitors: a chemogenomic view / , Proteochemometrics: a tool for modeling the molecular interaction space / , Some principles related to chemogenomics in compound library and template design for GPCRs / , Computational filters in lead generation: targeting drug-like chemotypes / , Navigation in chemical space: ligand-based design of focused compound libraries / , Natural product-derived compound libraries and protein structure similarity as guiding principles for the discovery of drug candidates / , Combinatorial chemistry in the age of chemical genomics /
    Additional Edition: Print version: Chemogenomics in drug discovery. Weinheim : Wiley-VCH, ©2004 ISBN 352730987X
    Language: English
    Keywords: Electronic books. ; Electronic books. ; Electronic books.
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  • 10
    UID:
    gbv_429744277
    Format: 92 S. mit Abb. 8"
    Note: München, Naturwiss. F., Diss. v. 10. Febr. 1965
    Language: Undetermined
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