The Handbook of Medicinal Chemistry: Principles and Practice
Completely revised and updated, the 2nd edition of The Handbook of Medicinal Chemistry draws together contributions from authoritative practitioners to provide a comprehensive overview of the field as well as insight into the latest trends and research. An ideal companion for students in medicinal chemistry, drug discovery and drug development, while also communicating core principles, the book places the discipline within the context of the burgeoning platform of new modalities now available to drug discovery. The book also highlights the role chemistry has to play in wider target validation and translational technologies.
This is a carefully curated compilation of writing from global experts using their broad experience of medicinal chemistry, project leadership and drug discovery and development from an industry, academic and charity perspective to provide unparalleled insight into the field.
The Handbook of Medicinal Chemistry: Principles and Practice, The Royal Society of Chemistry, 2023.
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Table of contents
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Chapter 1: Physicochemical Propertiesp1-39ByPaul D. LeesonPaul D. LeesonPaul Leeson Consulting LtdThe Malt House, Main Street, CongerstoneNuneatonWarwickshire CV13 6LZUKSearch for other works by this author on:
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Chapter 2: Synthesis in Medicinal Chemistryp40-93ByRobert J. YoungRobert J. YoungBlue Burgundy LtdAmpthillBedfordshireMK45 2ADUKSearch for other works by this author on:
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Chapter 3: Useful Computational Chemistry Tools for Medicinal Chemistryp94-136ByColin M. EdgeColin M. EdgeSearch for other works by this author on:
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Chapter 4: Structure-based Design for Medicinal Chemistsp137-187ByAndrew M. DavisAndrew M. DavisSearch for other works by this author on:
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Chapter 5: Fragment-based Ligand Discovery (FBLD)p188-230ByRoderick E. HubbardRoderick E. HubbardYSBL, University of YorkHeslingtonYorkYO10 5DDUKSearch for other works by this author on:
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Chapter 6: Machine Learning in Drug Designp231-264ByLewis H. Mervin;Lewis H. MervinMolecular AI, Discovery Sciences, R&D, AstraZenecaCambridgeUKSearch for other works by this author on:Hongming Chen;Hongming ChenBioland Laboratory (Guangzhou Regenarative Medicine and Health-Guangdong Laboratory)GuangzhouChinaSearch for other works by this author on:Ting RanTing RanBioland Laboratory (Guangzhou Regenarative Medicine and Health-Guangdong Laboratory)GuangzhouChinaSearch for other works by this author on:
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Chapter 7: Drug Metabolismp265-297ByR. Lock;R. LockAucuba Sciences Ltd67 Canterbury Innovation CentreUniversity RoadCanterburyKent CT27FGUK[email protected]Search for other works by this author on:P. J. H. Webborn;P. J. H. WebbornPJHW Consultancy LtdMartonCheshireSK11 9HDUKSearch for other works by this author on:C. W. Vose;C. W. VoseFormerly of Centre for Integrated Drug Development, Quintiles Ltd500 Brook DriveGreen ParkReadingBerkshire RG2 6UUUKSearch for other works by this author on:R. M. J. IngsR. M. J. IngsRMI-Pharmacokinetics1317, Bulrush CtCarlsbadCA 92011USASearch for other works by this author on:
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Chapter 8: ADME Optimization in Drug Discoveryp298-323ByKen GrimeKen GrimeDMPK, Respiratory & Immunology, Biopharma R&D, AstraZenecaGothenburgSwedenSearch for other works by this author on:
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Chapter 9: Molecular Biology for Medicinal Chemistsp324-358ByN. M. Ahmad;N. M. AhmadCharles River Laboratories8-9 Spire Green CentreHarlowEssexCM19 5TRUKSearch for other works by this author on:E. Bush;E. BushCharles River LaboratoriesChesterford Research ParkCB10 1XLUKSearch for other works by this author on:B. Nancolas;B. NancolasCharles River LaboratoriesChesterford Research ParkCB10 1XLUKSearch for other works by this author on:N. Macabuag;N. MacabuagCharles River LaboratoriesChesterford Research ParkCB10 1XLUKSearch for other works by this author on:P. I. RaczP. I. RaczSearch for other works by this author on:
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Chapter 10: Assays1p359-401ByBarbara Saxty;Barbara SaxtyLifeArcAccelerator BuildingOpen Innovation CampusStevenageSG1 2FXUK[email protected][email protected]Search for other works by this author on:Peter J. CoombsPeter J. CoombsLifeArcAccelerator BuildingOpen Innovation CampusStevenageSG1 2FXUK[email protected][email protected]Search for other works by this author on:
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Chapter 11: In Vitro Biology: Measuring Pharmacological Activity that Will Translate to Clinical Efficacyp402-436ByPer Erik StrömstedtPer Erik StrömstedtSearch for other works by this author on:
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Chapter 12: Animal Models: Practical Use and Considerationsp437-484ByL. A. Lione;L. A. LioneUniversity of Hertfordshire de Havilland CampusHatfieldAL10 9EUUKSearch for other works by this author on:M. Lanigan;M. LaniganUniversity of Hertfordshire de Havilland CampusHatfieldAL10 9EUUKTranspharmation Ltd., The London Bioscience Innovation Centre2 Royal College StreetLondonNW1 0NHUK[email protected]Search for other works by this author on:A. FisherA. FisherTranspharmation Ltd., The London Bioscience Innovation Centre2 Royal College StreetLondonNW1 0NHUK[email protected]PharmaceuticalsSovereign HouseHistonCambridgeCB24 9BZSearch for other works by this author on:
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Chapter 13: Bioinformatics for Medicinal Chemistryp485-513ByMaria J. MartinMaria J. MartinSearch for other works by this author on:
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Chapter 14: Translational Sciencep514-532ByOuti Vaarala;Outi VaaralaClinicum, University of HelsinkiHelsinkiFinlandSearch for other works by this author on:Anu MoilanenAnu MoilanenSearch for other works by this author on:
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Chapter 15: Discovery Toxicology in Lead Optimizationp533-596ByStefano Fontana;Stefano FontanaAptuit (Verona) Srl, an Evotec Company, Campus Levi-MontalciniVia Alessandro Fleming 437135 VeronaItaly[email protected]Search for other works by this author on:Simone Braggio;Simone BraggioAptuit (Verona) Srl, an Evotec Company, Campus Levi-MontalciniVia Alessandro Fleming 437135 VeronaItaly[email protected]Search for other works by this author on:Mauro Corsi;Mauro CorsiAptuit (Verona) Srl, an Evotec Company, Campus Levi-MontalciniVia Alessandro Fleming 437135 VeronaItaly[email protected]Search for other works by this author on:Rob Riley;Rob RileyCyprotex Discovery Ltd, an Evotec CompanyNo. 24 Mereside, Alderley ParkMacclesfieldCheshireSK10 4TGUKSearch for other works by this author on:Chris Strock;Chris StrockCyprotex US, LLC, an Evotec Company313 Pleasant StreetWatertownMA 02472USASearch for other works by this author on:Jenifer Bradley;Jenifer BradleyCyprotex US, LLC, an Evotec Company313 Pleasant StreetWatertownMA 02472USASearch for other works by this author on:Caterina Virginio;Caterina VirginioAptuit (Verona) Srl, an Evotec Company, Campus Levi-MontalciniVia Alessandro Fleming 437135 VeronaItaly[email protected]Search for other works by this author on:Paul WalkerPaul WalkerCyprotex Discovery Ltd, an Evotec CompanyNo. 24 Mereside, Alderley ParkMacclesfieldCheshireSK10 4TGUKSearch for other works by this author on:
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Chapter 16: Toxicology and Drug Developmentp597-610ByIlona Bebenek;Ilona BebenekU.S. Food and Drug Administration, Division of Pharmacology/Toxicology for Infectious Diseases10903 New Hampshire Ave.Silver SpringMD 20993USA[email protected]Search for other works by this author on:Owen McMasterOwen McMasterU.S. Food and Drug Administration, Division of Pharmacology/Toxicology for Infectious Diseases10903 New Hampshire Ave.Silver SpringMD 20993USA[email protected]Search for other works by this author on:
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Chapter 17: Patents for Medicinesp611-652ByAndrew CookAndrew CookAstraZeneca, Global Intellectual PropertyEastbrook House, Shaftesbury RoadCambridge CB2 8BFUnited KingdomSearch for other works by this author on:
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Chapter 18: Target Validation for Medicinal Chemistsp653-681ByMatthew Thomas;Matthew ThomasBoehringer Ingelheim Pharma GmbH & Co KG, Immunology and Respiratory Diseases Research BiberachBirkendorfer Strasse 6588397 Biberach an der RissGermany[email protected]Search for other works by this author on:Lorna EwartLorna EwartEmulate Inc.27 Drydock AvenueBostonMA 02210USASearch for other works by this author on:
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Chapter 19: Lead Generationp682-719ByFrank Narjes;Frank NarjesMedicinal Chemistry, Research & Early Development, Respiratory & Immunology, BioPharmaceuticals R&D, AstraZeneca431 50 GothenburgSweden[email protected]Search for other works by this author on:Garry Pairaudeau;Garry PairaudeauExscientia, The Schrödinger Building, Oxford Science ParkOxfordOX4 4GEUKSearch for other works by this author on:Dušan PetrovićDušan PetrovićHit Discovery, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca431 50 GothenburgSwedenSearch for other works by this author on:
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Chapter 20: Lead Optimisation: What You Should Know!p720-768ByAndrew M. DavisAndrew M. DavisSearch for other works by this author on:
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Chapter 21: Pharmaceutical Properties – The Importance of Solid Form Selectionp769-799ByCheryl L. Doherty;Cheryl L. DohertyMedicines Research Centre, GlaxoSmithKlineGunnels Wood RoadStevenageHertfordshireSG1 2NYUK[email protected]Search for other works by this author on:Amy L. Robertson;Amy L. RobertsonChemical Development, Pharmaceutical Technology and Development, Operations, AstraZenecaMacclesfieldSK11 2NAUKSearch for other works by this author on:Nicola Clear;Nicola ClearPharmaceutical Sciences, Pfizer Global R&DRamsgate RoadSandwichKentCT13 9NJUKSearch for other works by this author on:Robert DochertyRobert DochertySchool of Chemical and Process Engineering, University of LeedsLeeds, LS2 9JTUKSearch for other works by this author on:
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Chapter 22: The Medicinal Chemistry and Process Chemistry Interfacep800-811ByWilliam R. F. Goundry;William R. F. GoundryEarly Chemical Development, Pharmaceutical Sciences, R&D, AstraZenecaMacclesfieldUnited Kingdom[email protected][email protected]Search for other works by this author on:Jeremy S. ParkerJeremy S. ParkerEarly Chemical Development, Pharmaceutical Sciences, R&D, AstraZenecaMacclesfieldUnited Kingdom[email protected][email protected]Search for other works by this author on:
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Chapter 23: Clinical Drug Developmentp812-829ByMaarten KraanMaarten KraanSearch for other works by this author on:
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Chapter 24: SMN2 Splicing Modification by Small Molecules – A Blueprint to Tackle the Underlying Genetic Cause of Many Underserved Diseasesp830-846ByHasane Ratni;Hasane RatniF. Hoffmann-La Roche Ltd, pRED, Pharma Research & Early Development, Roche Innovation Center BaselGrenzacherstrasse 1244070 BaselSwitzerland[email protected]Search for other works by this author on:Martin Ebeling;Martin EbelingF. Hoffmann-La Roche Ltd, pRED, Pharma Research & Early Development, Roche Innovation Center BaselGrenzacherstrasse 1244070 BaselSwitzerland[email protected]Search for other works by this author on:Renata S. Scalco;Renata S. ScalcoF. Hoffmann-La Roche Ltd, pRED, Pharma Research & Early Development, Roche Innovation Center BaselGrenzacherstrasse 1244070 BaselSwitzerland[email protected]Search for other works by this author on:Lutz Mueller;Lutz MuellerF. Hoffmann-La Roche Ltd, pRED, Pharma Research & Early Development, Roche Innovation Center BaselGrenzacherstrasse 1244070 BaselSwitzerland[email protected]Search for other works by this author on:Alexander StephanAlexander StephanF. Hoffmann-La Roche Ltd, pRED, Pharma Research & Early Development, Roche Innovation Center BaselGrenzacherstrasse 1244070 BaselSwitzerland[email protected]Search for other works by this author on:
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Chapter 25: The Discovery of Checkpoint Kinase 1 Inhibitors: From Fragments to Clinical Candidatep847-872ByIan CollinsIan CollinsCancer Research UK Cancer Therapeutics Unit, The Institute of Cancer ResearchLondonSM2 5NGUK[email protected]Search for other works by this author on:
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Chapter 26: Medicinal Chemistry for Neglected Diseases – Malaria, Tuberculosis, Sleeping Sickness, Leishmaniasis and River Blindnessp873-910ByChristopher B. Cooper;Christopher B. CooperTB AllianceNew YorkNYUSASearch for other works by this author on:Charles Mowbray;Charles MowbrayDrugs for Neglected Diseases InitiativeGenevaSwitzerlandSearch for other works by this author on:Peter SjöPeter SjöDrugs for Neglected Diseases InitiativeGenevaSwitzerlandSearch for other works by this author on:
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Chapter 27: New Therapeutic Chemical Modalities: Compositions, Modes-of-action, and Drug Discoveryp911-961ByEric ValeurEric ValeurSearch for other works by this author on:
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