In Silico Methods for Predicting Drug Toxicity, Softcover reprint of the original 1st ed. 2016 Methods in Molecular Biology Series, Vol. 1425
Coordonnateur : Benfenati Emilio
This detailed volume explores in silico methods for pharmaceutical toxicity by combining the theoretical advanced research with the practical application of the tools. Beginning with a section covering sophisticated models addressing the binding to receptors, pharmacokinetics and adsorption, metabolism, distribution, and excretion, the book continues with chapters delving into models for specific toxicological and ecotoxicological endpoints, as well as broad views of the main initiatives and new perspectives which will very likely improve our way of modelling pharmaceuticals. Written for the highly successful Methods in Molecular Biology series, chapters include the kind of detailed implementation advice that is key for achieving successful research results.
Authoritative and practical, In Silico Methods for Predicting Drug Toxicity offers the advantage of incorporating data and knowledge from different fields, such as chemistry, biology, -omics, and pharmacology, to achieve goals in this vital area of research.
1. QSAR Methods
Giuseppina Gini
Part I: Modeling a Pharmaceutical in the Human Body
2. In Silico 3D-Modelling of Binding Activities
Stefano Moro, Mattia Sturlese, Antonella Ciancetta, and Matteo Floris
3. Modeling Pharmacokinetics
Frederic Y. Bois and Céline Brochot
4. Modeling ADMET
Jayeeta Ghosh, Michael S. Lawless, Marvin Waldman, Vijay Gombar, and Robert Fraczkiewicz
Part II: The Applications of In Silico Models for the Different Endpoints
5. In Silico Prediction of Chemically-Induced Mutagenicity: How to Use QSAR Models and Interpret Their Results
Enrico Mombelli, Giuseppa Raitano, and Emilio Benfenati
6. In Silico Methods for Carcinogenicity Assessment
Azadi Golbamaki and Emilio Benfenati
7. VirtualToxLab: Exploring the Toxic Potential of Rejuvenating Substances Found in Traditional Medicines
Martin Smieško and Angelo Vedani
8. In Silico Model for Developmental Toxicity: How to Use QSAR Models and Interpret Their Results
Marco Marzo, Alessandra Roncaglioni, Sunil Kulkarni, Tara S. Barton-Maclaren, and Emilio Benfenati
9. In Silico Models for Repeated Dose Toxicity (RDT): Prediction of the No Observed Adverse Effect Level (NOAEL) and Lowest Observed Adverse Effect Level (LOAEL) for Drugs
Fabiola Pizzo and Emilio Benfenati
10. In Silico Models for Acute Systemic Toxicity
Julien Burton, Andrew P. Worth, Ivanka Tsakovska, and Antonia Diukendjieva
11. In Silico Models for Hepatotoxicity
Mark Hewitt and Katarzyna Przybylak
12. In SilicoModels for Ecotoxicity of Pharmaceuticals
Kunal Roy and Supratik Kar
13. Use of Read-Across Tools
Serena Manganelli and Emilio Benfenati
Part III: The Scientific and Society Challenges
14. Adverse Outcome Pathways as Tools to Assess Drug-Induced Toxicity
Mathieu Vinken
15. A Systems Biology Approach for Identifying Hepatotoxicant Groups Based on Similarity in Mechanisms of Action and Chemical Structure
Dennie G.A.J. Hebels, Axel Rasche, Ralf Herwig, Gerard J.P. van Westen, Danyel G.J. Jennen, and Jos C.S. Kleinjans
16. In Silico Study of In Vitro GPCR Assays by QSAR Modeling
Kamel Mansouri and Richard S. Judson
17. Taking Advantage of Databases
Glenn J. Myatt and Donald P. Quigley
18. QSAR Models at the United States FDA/NCTR
Huixiao Hong, Minjun Chen, Hui Wen Ng, and Weida Tong
19. A Round Trip from Medicinal Chemistry to Predictive Toxicology
Giuseppe Felice Mangiatordi, Angelo Carotti, Ettore Novellino, and Orazio Nicolotti
20. The Use of In Silico Models Within a Large Pharmaceutical Company
Alessandro Brigo and Wolfgang Muster
21. The Consultancy Activity on In Silico Models for Genotoxic Prediction of Pharmaceutical Impurities
Manuela Pavan, Simona Kovarich, Arianna Bassan, Lorenza Broccardo, Chihae Yang, and Elena FioravanzoIncludes cutting-edge methods and protocols involving in silico techniques
Provides step-by-step detail essential for reproducible results
Contains key notes and implementation advice from the experts
Date de parution : 05-2018
Ouvrage de 534 p.
17.8x25.4 cm
Date de parution : 06-2016
Ouvrage de 534 p.
17.8x25.4 cm