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Issues in Toxicology
Computational Systems Pharmacology and Toxicology
Edited by
Rudy J Richardson;
Rudy J Richardson
University of Michigan, USA
Search for other works by this author on:
Dale E Johnson
Dale E Johnson
University of Michigan, USA
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Hardback ISBN:
978-1-78262-332-8
PDF ISBN:
978-1-78262-373-1
EPUB ISBN:
978-1-78801-120-4
Special Collection:
2017 ebook collection
Series:
Issues in Toxicology
No. of Pages:
332
Publication date:
01 Mar 2017
About this book
The network approaches of systems pharmacology and toxicology serve as early predictors of the most relevant screening approach to pursue both in drug discovery and development and ecotoxicological assessments. Computational approaches have the potential to improve toxicological experimental design, enable more rapid drug efficacy and safety testing and also reduce the number of animals used in experimentation. Rapid advances in availability of computing technology hold tremendous promise for advancing applied and basic science and increasing the efficiency of risk assessment.
This book provides an understanding of the basic principles of computational toxicology and the current methods of predictive toxicology using chemical structures, toxicity-related databases, in silico chemical-protein docking, and biological pathway tools. The book begins with an introduction to systems pharmacology and toxicology and computational tools followed by a section exploring modelling adverse outcomes and events. The second part of the book covers the discovery of protein targets and the characterisation of toxicant-protein interactions. Final chapters include case studies and additionally discuss interactions between phytochemicals and Western therapeutics.
This book will be useful for scientists involved in environmental research and risk assessment. It will be a valuable resource for postgraduate students and researchers wishing to learn about key methods used in studying biological targets both from a toxicity and pharmacological activity standpoint.
Computational Systems Pharmacology and Toxicology, The Royal Society of Chemistry, 2017.
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Digital access
$223.00
Print format
Computational Systems Pharmacology and Toxicology
$223.00
Table of contents
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CHAPTER 1: Systems Biology Approaches in Pharmacology and Toxicologyp1-18ByDale E. JohnsonDale E. JohnsonUniversity of Michigan, School of Public Health, Department of Environmental Health SciencesAnn ArborMI 48109-2029USAUniversity of California, Berkeley, Department of Nutritional Sciences and Toxicology, Morgan HallBerkeleyCA 94720-3104USA[email protected]Search for other works by this author on:
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CHAPTER 2: Databases Facilitating Systems Biology Approaches in Toxicologyp19-35ByDale E. Johnson;Dale E. JohnsonUniversity of Michigan, School of Public Health, Department of Environmental Health SciencesAnn ArborMI 48109-2029USAUniversity of California, Berkeley, Department of Nutritional Sciences and Toxicology, Morgan HallBerkeleyCA 94720-3104USA[email protected]Search for other works by this author on:Ann M. H. HeslinAnn M. H. HeslinUniversity of California, Berkeley, Department of Nutritional Sciences and Toxicology, Morgan HallBerkeleyCA 94720-3104USA[email protected]Search for other works by this author on:
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CHAPTER 3: Tools for Green Molecular Design to Reduce Toxicological Riskp36-59ByDavid Faulkner;David FaulknerUniversity of California, Berkeley, Department of Nutritional Sciences and ToxicologyBerkeleyCA 94720-3104USA[email protected]University of California, Berkeley, Berkeley Center for Green ChemistryBerkeleyCA 94720-3104USASearch for other works by this author on:Leah K. Rubin Shen;Leah K. Rubin ShenUniversity of California, Berkeley, Berkeley Center for Green ChemistryBerkeleyCA 94720-3104USAUniversity of California, Berkeley, Department of ChemistryBerkeleyCA 94720-1460USASearch for other works by this author on:Vanessa Y. De La Rosa;Vanessa Y. De La RosaSilent Spring Institute, 320 Nevada StreetSuite #302NewtonMA 02460USANortheastern University Social Science Environmental Health Research Institute, 360 Huntington Avenue318 INVBostonMA 02115USASearch for other works by this author on:Dale E. Johnson;Dale E. JohnsonUniversity of California, Berkeley, Department of Nutritional Sciences and ToxicologyBerkeleyCA 94720-3104USA[email protected]University of Michigan, School of Public Health, Department of Environmental Health SciencesAnn ArborMI 48109-2029USASearch for other works by this author on:Rachel Hemingway;Rachel HemingwayLhasa LimitedLeedsLS11 5PSUKSearch for other works by this author on:Richard V. Williams;Richard V. WilliamsLhasa LimitedLeedsLS11 5PSUKSearch for other works by this author on:Philip N. Judson;Philip N. JudsonLhasa LimitedLeedsLS11 5PSUKSearch for other works by this author on:John Arnold;John ArnoldUniversity of California, Berkeley, Berkeley Center for Green ChemistryBerkeleyCA 94720-3104USAUniversity of California, Berkeley, Department of ChemistryBerkeleyCA 94720-1460USASearch for other works by this author on:Chris D. VulpeChris D. VulpeUniversity of California, Berkeley, Department of Nutritional Sciences and ToxicologyBerkeleyCA 94720-3104USA[email protected]University of Florida, College of Veterinary Medicine, Department of Physiological SciencesGainesvilleFL 32610-0103USASearch for other works by this author on:
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CHAPTER 4: Linking Environmental Exposure to Toxicity1p60-88ByNoffisat Oki;Noffisat OkiOak Ridge Institute for Science and EducationOak RidgeTN37831USANational Health and Environmental Effects Research Laboratory, United States Environmental Protection Agency109 TW Alexander Dr Mail Code B305-01, Research Triangle ParkNC 27709USA[email protected]Search for other works by this author on:Jeremy Leonard;Jeremy LeonardOak Ridge Institute for Science and EducationOak RidgeTN37831USANational Exposure Research Laboratory, United States Environmental Protection AgencyResearch Triangle ParkNC, 27709USASearch for other works by this author on:Mark Nelms;Mark NelmsOak Ridge Institute for Science and EducationOak RidgeTN37831USANational Health and Environmental Effects Research Laboratory, United States Environmental Protection Agency109 TW Alexander Dr Mail Code B305-01, Research Triangle ParkNC 27709USA[email protected]Search for other works by this author on:Shannon Bell;Shannon BellNational Institute of Environmental Health SciencesResearch Triangle ParkNC, 27709USASearch for other works by this author on:Yu-Mei Tan;Yu-Mei TanNational Exposure Research Laboratory, United States Environmental Protection AgencyResearch Triangle ParkNC, 27709USASearch for other works by this author on:Lyle Burgoon;Lyle BurgoonEnvironmental Laboratory, US Army Engineer Research and Development CenterVicksburgMSUSASearch for other works by this author on:Stephen EdwardsStephen EdwardsNational Health and Environmental Effects Research Laboratory, United States Environmental Protection Agency109 TW Alexander Dr Mail Code B305-01, Research Triangle ParkNC 27709USA[email protected]Search for other works by this author on:
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CHAPTER 5: Linking Drug or Phytochemical Exposure to Toxicityp89-119ByC. A. Rodríguez;C. A. RodríguezAdjunct Associate Professor of Pharmaceutical Sciences, The University of MichiganAnn ArborMIUSA[email protected]Adjunct Professor of Pharmaceutics and Medicinal Chemistry, University of the PacificStocktonCAUSASearch for other works by this author on:N. S. Teuscher;N. S. TeuscherVice President of Scientific Training and Director of Strategic ConsultingCertara, PrincetonNJUSASearch for other works by this author on:J. A. UchizonoJ. A. UchizonoProfessor of Pharmaceutics and Medicinal Chemistry, Associate Provost of Research, and Interim Dean of Graduate Studies, University of the PacificStocktonCAUSASearch for other works by this author on:
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CHAPTER 6: Chemical Similarity, Shape Matching and QSARp120-173ByE. V. Radchenko;E. V. RadchenkoLomonosov Moscow State University, Department of ChemistryLenkinskie gory 1/3Moscow119991RussiaInstitute of Physiologically Active Compounds RASSeverniy proezd 1Chernogolovka, Moscow region142432Russia[email protected]Search for other works by this author on:G. F. Makhaeva;G. F. MakhaevaInstitute of Physiologically Active Compounds RASSeverniy proezd 1Chernogolovka, Moscow region142432Russia[email protected]Search for other works by this author on:V. A. Palyulin;V. A. PalyulinLomonosov Moscow State University, Department of ChemistryLenkinskie gory 1/3Moscow119991RussiaInstitute of Physiologically Active Compounds RASSeverniy proezd 1Chernogolovka, Moscow region142432Russia[email protected]Search for other works by this author on:N. S. ZefirovN. S. ZefirovLomonosov Moscow State University, Department of ChemistryLenkinskie gory 1/3Moscow119991RussiaInstitute of Physiologically Active Compounds RASSeverniy proezd 1Chernogolovka, Moscow region142432Russia[email protected]Search for other works by this author on:
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CHAPTER 7: In silico Chemical–Protein Docking and Molecular Dynamicsp174-190BySanjeeva J. Wijeyesakere;Sanjeeva J. WijeyesakereDepartment of Microbiology and Immunology, University of Michigan School of MedicineAnn ArborMI 48109USASearch for other works by this author on:Rudy J. RichardsonRudy J. RichardsonDepartment of Environmental Health Sciences (Toxicology Program), University of Michigan School of Public HealthAnn ArborMI 48109USASearch for other works by this author on:
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CHAPTER 8: Computational Tools for Chemical Toxicity Testing and Risk Assessment Under the Framework of Adverse Outcome Pathwaysp191-208ByM. Mumtaz;M. MumtazAgency for Toxic Substances and Disease Registry (ATSDR), Centers for Disease Control and Prevention (CDC)AtlantaGAUSA[email protected]Search for other works by this author on:P. Ruiz;P. RuizAgency for Toxic Substances and Disease Registry (ATSDR), Centers for Disease Control and Prevention (CDC)AtlantaGAUSA[email protected]Search for other works by this author on:Q. ZhangQ. ZhangDepartment of Environmental Health, Rollins School of Public Health, Emory UniversityAtlantaGAUSASearch for other works by this author on:
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CHAPTER 9: In silico Toxicology: An Overview of Toxicity Databases, Prediction Methodologies, and Expert Reviewp209-242ByS. Escher;S. EscherFraunhofer Institute of Toxicology and Experimental Medicine (ITEM), Chemical Risk AssessmentNikolai-Fuchs-Strasse 130625HannoverGermanySearch for other works by this author on:D. P. QuigleyD. P. QuigleySearch for other works by this author on:
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CHAPTER 10: Data Sources for Herbal and Traditional Medicinesp243-260ByHsueh-Fen JuanHsueh-Fen JuanDepartment of Life Science, Institute of Molecular & Cellular Biology, Institute of Biomedical Electronics & Bioinformatics, Genome and Systems Biology Degree Program, Center for Systems Biology, National Taiwan UniversityNo. 1, Section 4, Roosevelt Rd.Da'an DistrictTaipei 10617Taiwan[email protected]Search for other works by this author on:
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CHAPTER 11: Network Pharmacology Research Approaches for Chinese Herbal Medicinesp261-278ByDale E. JohnsonDale E. JohnsonUniversity of Michigan, School of Public Health, Department of Environmental Health SciencesAnn ArborMI 48109-2029USAUniversity of California, Berkeley, Department of Nutritional Sciences and Toxicology, Morgan HallBerkeleyCA 94720-3104USA[email protected]Search for other works by this author on:
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CHAPTER 12: Chemical–Disease Category Linkage (CDCL): Computational Methods Linking Traditional Chinese Medicines and Western Therapeuticsp279-299ByDale E. Johnson;Dale E. JohnsonUniversity of Michigan, School of Public Health, Department of Environmental Health SciencesAnn ArborMI 48109-2029USA[email protected]University of California, Berkeley, Department of Nutritional Sciences and Toxicology, Morgan HallBerkeleyCA 94720-3104USASearch for other works by this author on:Kit Wun Kathy CheungKit Wun Kathy CheungUniversity of California, San Francisco, School of PharmacySan FranciscoCA 94143USASearch for other works by this author on:
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CHAPTER 13: Educational Programs for Computational Toxicology and Pharmacologyp300-323ByDale E. Johnson;Dale E. JohnsonUniversity of Michigan, School of Public Health, Department of Environmental Health SciencesAnn ArborMI 48109-2029USAUniversity of California, Berkeley, Department of Nutritional Sciences and Toxicology, Morgan HallBerkeleyCA 94720-3104USA[email protected]Search for other works by this author on:Rudy J. RichardsonRudy J. RichardsonUniversity of Michigan, School of Public Health, Department of Environmental Health SciencesAnn ArborMI 48109-2029USASearch for other works by this author on:
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