In Silico Methods for Predicting Drug Toxicity, Benfenati
Автор: Emilio Benfenati Название: In Silico Methods for Predicting Drug Toxicity ISBN: 1493980939 ISBN-13(EAN): 9781493980932 Издательство: Springer Рейтинг: Цена: 15372.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
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 Cйline 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 Smiesko 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
Описание: Exploring the methodologies and applications ofcomputational tools in drug design, this book is a practical introduction to chemoinformatics, molecular modelling and computational chemistry for researchers.
Автор: Sandhya Kortagere Название: In Silico Models for Drug Discovery ISBN: 1627033416 ISBN-13(EAN): 9781627033411 Издательство: Springer Рейтинг: Цена: 15372.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This Methods in Molecular Biology (TM) book surveys in silico models, offering techniques to derive novel antimicrobial targets and methods for computing binding energies of drugs to their target proteins, plus protocols, materials lists, known pitfalls and more.
Название: In Silico Drug Discovery & Design, ISBN: 148221783X ISBN-13(EAN): 9781482217834 Издательство: Taylor&Francis Рейтинг: Цена: 29093.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This text provides an overview of the current methodological strategies in computer-aided drug discovery and design.
Автор: Carsten Ehrhardt; Kwang-Jin Kim Название: Drug Absorption Studies ISBN: 1489977546 ISBN-13(EAN): 9781489977540 Издательство: Springer Рейтинг: Цена: 39130.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: In the last 15 years, a great number of cell- or tissue-based in vitro models have been introduced into the biopharmaceutics arena. These models mimic the different biological barriers that a drug has to overcome to finally reach its target organ/cell/receptor. These in vitro models have been found very useful in not only characterising the permeability behaviour of drugs molecules in epithelial and endothelial tissues, but also studying drug delivery systems for improved delivery and enhanced absorption. Compared to the complex in vivo situation, in vitro models offer a fast, convenient approach with cost advantages most of times. Most importantly, they can be standardised and automatised to be applicable to the high-throughput screening. Starting at the molecular level of studies, continuing with cell monolayer models (both primary and cell lines) and in situ techniques as a final testing format, the book provides a practical approach to contemporary in vitro techniques for drug absorption studies. In addition, chapters on high-throughput assays, in vitro-in vivo correlation, bioinformatics and regulatory issues are covered, giving a comprehensive overview of available models and techniques. Moreover, an appendix comprised with a number of practical protocols is available online, updated as needed, should prove very helpful to apply the techniques directly to the benchside.
Описание: This detailed book aims to provide an overview of novel bioinformatics resources for exploring diverse aspects of RNA biology. This edition focuses on methods dealing with non-coding RNA (miRNAs, circRNAs or lncRNAs), RNA modifications (m6A or RNA editing), single cell RNA-seq and statistical models to handle count data from RNA-seq experiments.
Автор: Li Di Название: Drug-like Properties ISBN: 0128010762 ISBN-13(EAN): 9780128010761 Издательство: Elsevier Science Рейтинг: Цена: 26444.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, only a fraction have sufficient ADME (absorption, distribution, metabolism, elimination) properties, and acceptable toxicology properties, to become a drug product that will successfully complete human Phase I clinical trials. Drug-Like Properties: Concepts, Structure Design and Methods from ADME to Toxicity Optimization, Second Edition, provides scientists and students the background and tools to understand, discover, and develop optimal clinical candidates. This valuable resource explores physiochemical properties, including solubility and permeability, before exploring how compounds are absorbed, distributed, and metabolized safely and stably. Review chapters provide context and underscore the importance of key concepts such as pharmacokinetics, toxicity, the blood-brain barrier, diagnosing drug limitations, prodrugs, and formulation. Building on those foundations, this thoroughly updated revision covers a wide variety of current methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties for process and product improvement. From conducting key assays for interpretation and structural analysis, the reader learns to implement modification methods and improve each ADME property.
Through valuable case studies, structure-property relationship descriptions, and structure modification strategies, Drug-Like Properties, Second Edition, offers tools and methods for ADME/Tox scientists through all aspects of drug research, discovery, design, development, and optimization.
Автор: Benfenati Название: In Silico Methods for Predicting Drug Toxicity ISBN: 1493936077 ISBN-13(EAN): 9781493936076 Издательство: Springer Рейтинг: Цена: 25155.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This detailed volume explores in silico methods forpharmaceutical toxicity by combiningthe theoretical advanced research with the practical application of the tools.Beginning with a section covering sophisticated models addressing the bindingto receptors, pharmacokinetics and adsorption, metabolism, distribution, andexcretion, the book continues with chapters delving into models for specifictoxicological and ecotoxicological endpoints, as well as broad views of themain initiatives and new perspectives which will very likely improve our way ofmodelling pharmaceuticals. Written for the highly successful Methods in Molecular Biology series,chapters include the kind of detailed implementation advice that is key forachieving successful research results.Authoritative and practical, In Silico Methods for Predicting DrugToxicity offers the advantage of incorporating data and knowledge fromdifferent fields, such as chemistry, biology, -omics, and pharmacology, toachieve goals in this vital area of research.
Автор: Kassinos, Stavros Название: Inhaled Medicines ISBN: 0128149744 ISBN-13(EAN): 9780128149744 Издательство: Elsevier Science Рейтинг: Цена: 25265.00 р. Наличие на складе: Поставка под заказ.
Описание:
The inhaled route to deliver drugs to the lungs is widely accepted for treatment of lung diseases, and has been used recently for the systematic administration of drugs. The efficacy of local drug delivery to the lung depends on the amount and site of deposition within the lungs, as well as on post-deposition events. Therefore, quantifying regional deposition, dissolution, local clearance and absorption processes is important in assessing and optimising topical treatments as well as systemic delivery of drugs with limited lung bioavailability. Quantifying regional deposition in vivo via respiratory imaging remains challenging. Experimental, in vivo, assessment of deposition can be complimented by in vitro models often in combination with in silico methods, based in part on Computational Fluid Particle methods, and in part on hybrid 1D-3D methods. Similarly, it is difficult to directly quantify the clinical impact of kinetically competing processes of dissolution, clearance and permeation. Researches rely on a combination of ex vivo, in vitro and computational in silico methods. Yet, for in silico methods to be able to deliver their promise, they must be accepted into the drug development, regulation and approval cycle. Inhaled Medicines in the Age of in silico Population Studies responds to a need for well-designed protocols that will validate these emerging methods in order to generate the necessary consensus among the stakeholders involved. The book aims to show that the technological ingredients are in place, setting the stage for a future of inhaled drug development based in large part on in silico studies. Opportunities and challenges are addressed by a number of experts who tackle the drug delivery problem from different scientific angles. In this highly multidisciplinary field, where progress is occurring at the intersection of several fields of engineering and science, there is a clear need for a book that integrates knowledge and understanding and articulates a clear vision for the upcoming future.
Автор: Chen Название: Drug-Induced Liver Toxicity ISBN: 1493976761 ISBN-13(EAN): 9781493976768 Издательство: Springer Рейтинг: Цена: 12577.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book provides a comprehensive view of the methodologies used for the study of liver toxicity encountered throughout the whole life cycle of a drug, from drug discovery, to clinical trial, post-marketing, and even clinical practice.
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