The Medicinal Chemist's Guide to Solving ADMET Challenges
The Medicinal Chemist’s Guide to Solving ADMET Challenges summarizes a series of design strategies and tactics that have been successfully employed across pharmaceutical and academic laboratories to solve common ADMET issues. These are exemplified with a curated collection of concrete examples displayed in a highly visual “table-of-contents” style format, allowing readers to rapidly identify the most promising approaches applicable to their own challenges. Each ADMET parameter is introduced in a concise yet comprehensive manner and includes background, relevance and screening strategies. Medicinal chemistry knowledge of how best to modify molecular structure to solve ADMET issues is challenging to retrieve from the literature, public databases and even corporate data warehouses. The Medicinal Chemist’s Guide to Solving ADMET Challenges addresses this gap by presenting state-of-the-art design strategies put together by a global group of experienced medicinal chemists and ADMET experts across academia and the pharmaceutical industry.
The Medicinal Chemist's Guide to Solving ADMET Challenges, The Royal Society of Chemistry, 2021.
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Table of contents
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CHAPTER 1: Overview of Strategies for Solving ADMET Challengesp1-15ByPatrick SchniderPatrick SchniderSearch for other works by this author on:
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CHAPTER 2: Tactics to Improve Solubilityp16-35ByRobert J. YoungRobert J. YoungBlue Burgundy Consulting, Formerly, GlaxoSmithKline, Medicines Research CentreStevenageSG1 2NYUK[email protected]Search for other works by this author on:
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CHAPTER 3: Optimisation of Passive Permeability for Oral Absorptionp36-61ByR. Ian StorerR. Ian StorerMedicinal Chemistry, Discovery Sciences, Biopharmaceuticals R&D, AstraZenecaCambridgeUK[email protected]Search for other works by this author on:
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CHAPTER 4: Targeting Gastrointestinal Uptake Transportersp62-108BySimone H. Stahl;Simone H. StahlADME Sciences, Clinical Pharmacology & Safety Sciences, R&D, AstraZeneca310 Darwin Building, Cambridge Science Park, Milton RoadCambridgeCB4 0WGUKSearch for other works by this author on:Katherine S. Fenner;Katherine S. FennerADME Sciences, Clinical Pharmacology & Safety Sciences, R&D, AstraZeneca310 Darwin Building, Cambridge Science Park, Milton RoadCambridgeCB4 0WGUKSearch for other works by this author on:M. Raymond V. Finlay;M. Raymond V. FinlayMedicinal Chemistry, Research and Early Development, Oncology R&D, AstraZeneca310 Darwin Building, Cambridge Science Park, Milton RoadCambridgeCB4 0WGUK[email protected]Search for other works by this author on:Ravindra V. Alluri;Ravindra V. AlluriADME Sciences, Clinical Pharmacology & Safety Sciences, R&D, AstraZeneca310 Darwin Building, Cambridge Science Park, Milton RoadCambridgeCB4 0WGUKSearch for other works by this author on:Beth Williamson;Beth WilliamsonDrug Metabolism and Pharmacokinetics, Research and Early Development, Oncology R&DHodgkin Building, Chesterford Research Campus, Little ChesterfordSaffron WaldenCB10 1XLUKSearch for other works by this author on:Johan X. Johansson;Johan X. JohanssonMedicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism, BioPharmaceutical R&D, AstraZenecaPepparedsleden 1Mölndal 431 83SwedenSearch for other works by this author on:Jason KettleJason KettleMedicinal Chemistry, Research and Early Development, Oncology R&D, AstraZeneca310 Darwin Building, Cambridge Science Park, Milton RoadCambridgeCB4 0WGUK[email protected]Search for other works by this author on:
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CHAPTER 5: Drug Efflux Transporters: P-gp and BCRPp109-127BySharan BagalSharan BagalAstraZeneca R&DGreat ChesterfordCambridgeUKSearch for other works by this author on:
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CHAPTER 6: OATs and OCTs: The SLC22 Family of Organic Anion and Cation Transportersp128-142ByPär Matsson;Pär MatssonDepartment of Pharmacology, Institute of Neuroscience and Physiology, The Sahlgrenska Academy, University of GothenburgBox 431SE-405 30 GothenburgSweden[email protected]Search for other works by this author on:Maria KarlgrenMaria KarlgrenSearch for other works by this author on:
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CHAPTER 7: OATPs: The SLCO Family of Organic Anion Transporting Polypeptide Transportersp143-159ByPär MatssonPär MatssonDepartment of Pharmacology, Institute of Neuroscience and Physiology, The Sahlgrenska Academy, University of GothenburgBox 431SE-405 30 GothenburgSweden[email protected]Search for other works by this author on:
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CHAPTER 8: Bile Salt Export Pump (BSEP) Inhibitionp160-172ByAlexander Treiber;Alexander TreiberDepartments of Nonclinical Drug Metabolism and Pharmacokinetics (AT) and Drug Discovery Chemistry (MB), Idorsia Pharmaceuticals LtdHegenheimermattweg 914123 AllschwilSwitzerland[email protected]Search for other works by this author on:Martin H. BolliMartin H. BolliDepartments of Nonclinical Drug Metabolism and Pharmacokinetics (AT) and Drug Discovery Chemistry (MB), Idorsia Pharmaceuticals LtdHegenheimermattweg 914123 AllschwilSwitzerland[email protected]Search for other works by this author on:
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CHAPTER 9: Cytochrome P450 Metabolismp173-197ByAntonia F. Stepan;Antonia F. StepanPharma Research and Early Development, F. Hoffmann-La Roche LtdGrenzacherstrasse 1244070 BaselSwitzerland[email protected]Search for other works by this author on:R. Scott ObachR. Scott ObachPfizer Worldwide Research and DevelopmentEastern Point RoadGrotonConnecticut 06340USA[email protected]Search for other works by this author on:
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CHAPTER 10: Cytochrome P450 Inductionp198-219ByHua Lv;Hua LvRoche Innovation Center Shanghai, Roche Pharma Research and Early DevelopmentBld 5, 371 Lishizhen RoadShanghai201203China[email protected][email protected]Search for other works by this author on:Wei Zhu;Wei ZhuRoche Innovation Center Shanghai, Roche Pharma Research and Early DevelopmentBld 5, 371 Lishizhen RoadShanghai201203China[email protected][email protected]Search for other works by this author on:Hong ShenHong ShenRoche Innovation Center Shanghai, Roche Pharma Research and Early DevelopmentBld 5, 371 Lishizhen RoadShanghai201203China[email protected][email protected]Search for other works by this author on:
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CHAPTER 11: Strategies to Mitigate CYP450 Inhibitionp220-247ByAlexander G. Dossetter;Alexander G. DossetterMedChemica LimitedEbenezer House, RyecroftNewcastle-Under-LymeStaffordshireST5 2BEUKSearch for other works by this author on:Marcel J. de Groot;Marcel J. de GrootLEO Pharma A/SIndustriparken 552750 BallerupDenmarkSearch for other works by this author on:Sarah E. SkerrattSarah E. SkerrattSearch for other works by this author on:
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CHAPTER 12: Aldehyde and Xanthine Oxidase Metabolismp248-277ByDharmendra B. Yadav;Dharmendra B. YadavCuradev Pharma Pvt. Ltd.B-87, Sector 83Noida 201305IndiaSearch for other works by this author on:Rajib GhoshRajib GhoshCuradev Pharma Pvt. Ltd.B-87, Sector 83Noida 201305IndiaSearch for other works by this author on:
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CHAPTER 13: Glucuronidationp278-302ByYue PanYue PanGlobal Discovery Chemistry, Novartis Institutes for BioMedical Research22 Windsor StreetCambridgeMassachusetts 02139USA[email protected]Search for other works by this author on:
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CHAPTER 14: Sulfationp303-313ByYue PanYue PanGlobal Discovery Chemistry, Novartis Institutes for BioMedical Research22 Windsor St.CambridgeMassachusetts 02139USA[email protected]Search for other works by this author on:
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CHAPTER 15: Reactive Metabolitesp314-330ByAmit S. KalgutkarAmit S. KalgutkarSearch for other works by this author on:
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CHAPTER 16: Genotoxicityp331-363ByPatrick SchniderPatrick SchniderSearch for other works by this author on:
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CHAPTER 17: Drug-induced Photosensitivityp364-381ByJean-François FournierJean-François FournierSearch for other works by this author on:
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CHAPTER 18: Drug-induced Phospholipidosisp382-402ByLaura Goracci;Laura GoracciUniversity of Perugia, Department of Chemistry, Biology and BiotechnologyVia Elce di Sotto, 8Perugia06123Italy[email protected]Search for other works by this author on:Gabriele CrucianiGabriele CrucianiUniversity of Perugia, Department of Chemistry, Biology and BiotechnologyVia Elce di Sotto, 8Perugia06123Italy[email protected]Search for other works by this author on:
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CHAPTER 19: Cardiac Ion Channel Inhibitionp403-492ByCinzia Bordoni;Cinzia BordoniNorthern Institute for Cancer Research, School of Chemistry, School of Natural and Environmental Sciences, Newcastle UniversityNewcastle upon TyneNE1 7RUUK[email protected]Search for other works by this author on:Daniel J. Brough;Daniel J. BroughNorthern Institute for Cancer Research, School of Chemistry, School of Natural and Environmental Sciences, Newcastle UniversityNewcastle upon TyneNE1 7RUUK[email protected]Search for other works by this author on:Gemma Davison;Gemma DavisonNorthern Institute for Cancer Research, School of Chemistry, School of Natural and Environmental Sciences, Newcastle UniversityNewcastle upon TyneNE1 7RUUK[email protected]Search for other works by this author on:James H. Hunter;James H. HunterNorthern Institute for Cancer Research, School of Chemistry, School of Natural and Environmental Sciences, Newcastle UniversityNewcastle upon TyneNE1 7RUUK[email protected]Search for other works by this author on:J. Daniel Lopez-Fernandez;J. Daniel Lopez-FernandezNorthern Institute for Cancer Research, School of Chemistry, School of Natural and Environmental Sciences, Newcastle UniversityNewcastle upon TyneNE1 7RUUK[email protected]Search for other works by this author on:Kate McAdam;Kate McAdamNorthern Institute for Cancer Research, School of Chemistry, School of Natural and Environmental Sciences, Newcastle UniversityNewcastle upon TyneNE1 7RUUK[email protected]Search for other works by this author on:Duncan C. Miller;Duncan C. MillerNorthern Institute for Cancer Research, School of Chemistry, School of Natural and Environmental Sciences, Newcastle UniversityNewcastle upon TyneNE1 7RUUK[email protected]Search for other works by this author on:Pasquale A. Morese;Pasquale A. MoreseNorthern Institute for Cancer Research, School of Chemistry, School of Natural and Environmental Sciences, Newcastle UniversityNewcastle upon TyneNE1 7RUUK[email protected]Search for other works by this author on:Alexia Papaioannou;Alexia PapaioannouNorthern Institute for Cancer Research, School of Chemistry, School of Natural and Environmental Sciences, Newcastle UniversityNewcastle upon TyneNE1 7RUUK[email protected]Search for other works by this author on:Mélanie Uguen;Mélanie UguenNorthern Institute for Cancer Research, School of Chemistry, School of Natural and Environmental Sciences, Newcastle UniversityNewcastle upon TyneNE1 7RUUK[email protected]Search for other works by this author on:Paul Ratcliffe;Paul RatcliffeEurofins Discovery OneTM, Fyfield Business and Research ParkFyfield RoadOngar, EssexCM5 0GSUK[email protected]Search for other works by this author on:Nikolay Sitnikov;Nikolay SitnikovInnovation Campus Berlin, Nuvisan ICB GmbHLife Science ChemistryMüllerstraße 17813353 BerlinGermany[email protected]Search for other works by this author on:Michael J. WaringMichael J. WaringNorthern Institute for Cancer Research, School of Chemistry, School of Natural and Environmental Sciences, Newcastle UniversityNewcastle upon TyneNE1 7RUUK[email protected]Search for other works by this author on:
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