Bioisosteres in medicinal chemistry. (Record no. 12185)
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| 001 - CONTROL NUMBER | |
| control field | ocn809920141 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | OCoLC |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20171224114049.0 |
| 006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS--GENERAL INFORMATION | |
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| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION | |
| fixed length control field | cr cn||||||||| |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 120914s2012 nju ob 001 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | DG1 |
| Language of cataloging | eng |
| Description conventions | pn |
| Transcribing agency | DG1 |
| Modifying agency | OCLCO |
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| 019 ## - | |
| -- | 796383251 |
| -- | 796932644 |
| -- | 818880171 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9783527654307 |
| Qualifying information | (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 3527654305 |
| Qualifying information | (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9783527654338 |
| Qualifying information | (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 352765433X |
| Qualifying information | (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9781280778537 |
| Qualifying information | (MyiLibrary) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 1280778539 |
| Qualifying information | (MyiLibrary) |
| 029 1# - (OCLC) | |
| OCLC library identifier | AU@ |
| System control number | 000050060930 |
| 029 1# - (OCLC) | |
| OCLC library identifier | DEBBG |
| System control number | BV043395045 |
| 029 1# - (OCLC) | |
| OCLC library identifier | GBVCP |
| System control number | 790038315 |
| 029 1# - (OCLC) | |
| OCLC library identifier | NZ1 |
| System control number | 14695005 |
| 029 1# - (OCLC) | |
| OCLC library identifier | NZ1 |
| System control number | 15290908 |
| 035 ## - SYSTEM CONTROL NUMBER | |
| System control number | (OCoLC)809920141 |
| Canceled/invalid control number | (OCoLC)796383251 |
| -- | (OCoLC)796932644 |
| -- | (OCoLC)818880171 |
| 037 ## - SOURCE OF ACQUISITION | |
| Stock number | 10.1002/9783527654307 |
| Source of stock number/acquisition | Wiley InterScience |
| Note | http://www3.interscience.wiley.com |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER | |
| Classification number | RS420 |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | MED |
| Subject category code subdivision | 023000 |
| Source | bisacsh |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | MED |
| Subject category code subdivision | 058170 |
| Source | bisacsh |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | MED |
| Subject category code subdivision | 071000 |
| Source | bisacsh |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | MED |
| Subject category code subdivision | 072000 |
| Source | bisacsh |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 615/.19 |
| Edition number | 22 |
| 049 ## - LOCAL HOLDINGS (OCLC) | |
| Holding library | MAIN |
| 245 00 - TITLE STATEMENT | |
| Title | Bioisosteres in medicinal chemistry. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
| Place of publication, distribution, etc | Hoboken : |
| Name of publisher, distributor, etc | John Wiley & amp ; |
| Place of publication, distribution, etc | Sons, |
| Date of publication, distribution, etc | 2012. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 online resource. |
| 336 ## - | |
| -- | text |
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| -- | rdacontent |
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| -- | computer |
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| 338 ## - | |
| -- | online resource |
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| 490 1# - SERIES STATEMENT | |
| Series statement | Methods and principles in medicinal chemistry ; |
| Volume number/sequential designation | v. 54 |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents 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. |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 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. |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 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. |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | References; Part Two: Data; 4 BIOSTER: A Database of Bioisosteres and Bioanalogues; 4.1 Introduction; 4.2 Historical Overview and the Development of BIOSTER; 4.2.1 Representation of Chemical Transformations for Reaction Databases; 4.2.2 The Concept of ''Biosteric Transformation''; 4.2.3 Other Analogue and Bioisostere Databases; 4.3 Description of BIOSTER Database; 4.3.1 Coverage and Selection Criteria; 4.3.2 Sources; 4.3.3 Description of the Layout of Database Records; 4.3.3.1 ID Code; 4.3.3.2 Biosteric Transformation; 4.3.3.3 Citation (s) ; 4.3.3.4 Activity; 4.3.3.5 Fragments. |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 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. |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 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. |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 6.4.3 Generation of Matched Molecular Pairs. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc | 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. |
| 588 0# - | |
| -- | Print version record. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Drugs |
| General subdivision | Design. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Pharmaceutical chemistry. |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | MEDICAL |
| General subdivision | Drug Guides. |
| Source of heading or term | bisacsh |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | MEDICAL |
| General subdivision | Nursing |
| -- | Pharmacology. |
| Source of heading or term | bisacsh |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | MEDICAL |
| General subdivision | Pharmacology. |
| Source of heading or term | bisacsh |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | MEDICAL |
| General subdivision | Pharmacy. |
| Source of heading or term | bisacsh |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Drugs |
| General subdivision | Design. |
| Source of heading or term | fast |
| -- | (OCoLC)fst00898790 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Pharmaceutical chemistry. |
| Source of heading or term | fast |
| -- | (OCoLC)fst01060115 |
| 655 #4 - INDEX TERM--GENRE/FORM | |
| Genre/form data or focus term | Electronic books. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Brown, Nathan |
| Titles and other words associated with a name | (Medicinal chemist) |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Mannhold, Raimund, |
| Dates associated with a name | 1948- |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Kubinyi, Hugo. |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Folkers, Gerd. |
| 710 2# - ADDED ENTRY--CORPORATE NAME | |
| Corporate name or jurisdiction name as entry element | Wiley InterScience (Online service) |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Display text | Print version: |
| Title | Bioisosteres in medicinal chemistry. |
| Place, publisher, and date of publication | Hoboken : John Wiley & amp; Sons, 2012 |
| International Standard Book Number | 9783527654338 |
| Record control number | (OCoLC)818880171 |
| 830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE | |
| Uniform title | Methods and principles in medicinal chemistry ; |
| Volume number/sequential designation | v. 54. |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="http://onlinelibrary.wiley.com/book/10.1002/9783527654307">http://onlinelibrary.wiley.com/book/10.1002/9783527654307</a> |
| Public note | Wiley Online Library |
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| -- | EBSCOhost |
| -- | EBSC |
| -- | 463085 |
| 938 ## - | |
| -- | Ingram Digital eBook Collection |
| -- | IDEB |
| -- | 368892 |
| 938 ## - | |
| -- | YBP Library Services |
| -- | YANK |
| -- | 9571230 |
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| -- | 92 |
| -- | DG1 |
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