Название: Computational methods for drug repurposing ISBN: 1493989545 ISBN-13(EAN): 9781493989546 Издательство: Springer Рейтинг: Цена: 18294.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This detailed book explores techniques commonly used for research into drug repurposing, a well-known strategy to find alternative indications for drugs which have already undergone toxicology and pharma-kinetic studies but have failed later stages during the development, via computational methods. Thereby, it addresses the intense challenges of identifying the appropriate type of algorithm and relevant technical information for computational repurposing. Written for the highly successful Methods in Molecular Biology series, the authors of each chapter use their experience in the field to describe the implementation and successful use of a specific repurposing method thus providing lab-ready instruction.
Authoritative and practical, Computational Methods for Drug Repurposing serves as an ideal guide to researchers interested in this vital area of drug development.
Автор: Cavalla David Название: Drug Repurposing ISBN: 1788019032 ISBN-13(EAN): 9781788019033 Издательство: Royal Society of Chemistry Рейтинг: Цена: 45923.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Drug Repurposing provides an ideal introduction to the field of drug repositioning and repurposing with contributions from world-renowned experts culminating in an excellent resource for any drug discovery or medicinal chemist.
Описание: Drug repurposing (or drug repositioning) is defined as the process of identifying new pharmacological indications of old, existing, investigational, or FDA-approved drugs for use in the treatment of diseases other than the drugs' original intended therapeutic use. Drug Repurposing: Advances, Scopes and Opportunities in Drug Discovery delivers up-to-date information on the identification of newer uses, molecular mechanisms, and novel targets of existing drug candidates through the application of various experimental, biophysical, and computational approaches and techniques. Chapters discuss recent advances in drug repurposing strategies that are currently being used in the discovery and development of drugs against difficult-to-treat, rare, and life-threatening diseases, including microbial infections, COVID-19, parasitic diseases, cardiovascular diseases, neurological disorders, and cancer. The book also discusses the modern experimental assays (HTS) and computational techniques including informatics and databases, molecular docking and dynamics, artificial intelligence and machine learning, virtual screening and pharmacophore modelling, proteomics and metabolomics, and network pharmacology and systems biology approaches. Some of the key features of the book are:
Presents the strategies available for the development of drugs by drug repurposing approaches through various experimental and computational techniques for the treatment of difficult-to-treat, rare, and deadly diseases.
Summarises the latest advances in the application of drug repurposing strategies, techniques, and approaches in the discovery and development of drugs.
Depicts drug development approaches from existing drug candidates and/or lead molecules through modern experimental assays, biophysical tools, and computational techniques.
Written by a global team of experts, this book is useful for drug discovery scientists, drug developers, medicinal chemists, phytochemists, pharmacologists, clinicians, biochemists, biomedical scientists, healthcare professionals, researchers, teaching faculty, and students.
Автор: Roy, Kunal Название: In Silico Drug Design ISBN: 0128161256 ISBN-13(EAN): 9780128161258 Издательство: Elsevier Science Рейтинг: Цена: 23075.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
In Silico Drug Design: Repurposing Techniques and Methodologies explores the application of computational tools that can be utilized for this approach. The book covers theoretical background and methodologies of chem-bioinformatic techniques and network modeling and discusses the various applied strategies to systematically retrieve, integrate and analyze datasets from diverse sources. Other topics include in silico drug design methods, computational workflows for drug repurposing, and network-based in silico screening for drug efficacy. With contributions from experts in the field and the inclusion of practical case studies, this book gives scientists, researchers and R&D professionals in the pharmaceutical industry valuable insights into drug design.
Discusses the theoretical background and methodologies of useful techniques of cheminformatics and bioinformatics that can be applied for drug repurposing
Offers case studies relating to the in silico modeling of FDA-approved drugs for the discovery of antifungal, anticancer, antiplatelet agents, and for drug therapies against diseases
Covers tools and databases that can be utilized to facilitate in silico methods for drug repurposing
Описание: This book presents drug repurposing strategies to combat infectious diseases and cancer. It discusses key experimental and in silico approaches for modern drug repositioning, including signature matching, molecular docking, genome-wide associated studies, and network-based approaches aided by artificial intelligence. Further, the book presents various computational and experimental strategies for better understanding disease mechanisms and identify repurposed drug candidates for personalized pharmacotherapy. It also explores the databases for drug repositioning, summarizes the approaches taken for drug repositioning, and highlights and compares their characteristics and challenges. Towards the end, the book discusses challenges and limitations encountered in computational drug repositioning.
Автор: Riccardo Baron Название: Computational Drug Discovery and Design ISBN: 1493962272 ISBN-13(EAN): 9781493962273 Издательство: Springer Рейтинг: Цена: 18904.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Due to the rapid and steady growth of available low-cost computer power, the use of computers for discovering and designing new drugs is becoming a central topic in modern molecular biology and medicinal chemistry. In Computational Drug Discovery and Design: Methods and Protocols expert researchers in the field provide key techniques to investigate biomedical applications for drug developments based on computational chemistry. These include methods and techniques from binding sites prediction to the accurate inclusion of solvent and entropic effects, from high-throughput screening of large compound databases to the expanding area of protein-protein inhibition, toward quantitative free-energy approaches in ensemble-based drug design using distributed computing. Written in the highly successful Methods in Molecular Biology™ series format, chapters include introductions to their respective topics, reference to software and open source analysis tools, step-by-step, readily reproducible computational protocols, and key tips on troubleshooting and avoiding known pitfalls. Thorough and intuitive, Computational Drug Discovery and Design: Methods and Protocols aids scientists in the continuing study of state-of-the-art concepts and computer-based methodologies.
Автор: Gore Название: Computational Drug Discovery and Design ISBN: 1493977555 ISBN-13(EAN): 9781493977550 Издательство: Springer Рейтинг: Цена: 10976.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume details methods and techniques for identification of drug targets, binding sites prediction, high-throughput virtual screening,and prediction of pharmacokinetic properties using computer based methodologies. Chapters guide readers through techniques of the available computational tools, developing prediction models for drug target prediction and de novo design of ligands, structure based drug designing, fragment-based drug designing, molecular docking, and scoring functions for assessing protein-ligand docking protocols. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials, step-by-step, readily reproducible protocols, and tips on troubleshooting and avoiding known pitfalls.Authoritative and cutting-edge, Computational Drug Discovery and Design aims to provide protocols for the use of bioinformatics tools in drug discovery and design.
Автор: Kaushik Название: Bioinformatics Techniques for Drug Discovery ISBN: 3319757318 ISBN-13(EAN): 9783319757315 Издательство: Springer Рейтинг: Цена: 6097.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The application of bioinformatics approaches in drug design involves an interdisciplinary array of sophisticated techniques and software tools to elucidate hidden or complex biological data.
Автор: Loging William T. Название: Bioinformatics and Computational Biology in Drug Discovery a ISBN: 1108461158 ISBN-13(EAN): 9781108461153 Издательство: Cambridge Academ Рейтинг: Цена: 5702.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Providing a comprehensive overview of the drug discovery and development pipeline, this book focuses on the integral role that computational biology methods play in this process. Covering technological advances and their relation to drug developmental processes, readers are exposed to new methods of discovery utilising the available technology.
Автор: MacCuish, John David , MacCuish, Norah E. Название: Clustering in Bioinformatics and Drug Discovery ISBN: 1138374237 ISBN-13(EAN): 9781138374232 Издательство: Taylor&Francis Рейтинг: Цена: 10104.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
With a DVD of color figures, Clustering in Bioinformatics and Drug Discovery provides an expert guide on extracting the most pertinent information from pharmaceutical and biomedical data. It offers a concise overview of common and recent clustering methods used in bioinformatics and drug discovery.
Setting the stage for subsequent material, the first three chapters of the book introduce statistical learning theory, exploratory data analysis, clustering algorithms, different types of data, graph theory, and various clustering forms. In the following chapters on partitional, cluster sampling, and hierarchical algorithms, the book provides readers with enough detail to obtain a basic understanding of cluster analysis for bioinformatics and drug discovery. The remaining chapters cover more advanced methods, such as hybrid and parallel algorithms, as well as details related to specific types of data, including asymmetry, ambiguity, validation measures, and visualization.
This book explores the application of cluster analysis in the areas of bioinformatics and cheminformatics as they relate to drug discovery. Clarifying the use and misuse of clustering methods, it helps readers understand the relative merits of these methods and evaluate results so that useful hypotheses can be developed and tested.
This book reviews the advances and challenges of structure-based drug design in the preclinical drug discovery process, addressing various diseases, including malaria, tuberculosis and cancer. Written by internationally recognized researchers, this edited book discusses how the application of the various in-silico techniques, such as molecular docking, virtual screening, pharmacophore modeling, molecular dynamics simulations, and residue interaction networks offers insights into pharmacologically active novel molecular entities. It presents a clear concept of the molecular mechanism of different drug targets and explores methods to help understand drug resistance. In addition, it includes chapters dedicated to natural-product- derived medicines, combinatorial drug discovery, the CryoEM technique for structure-based drug design and big data in drug discovery.
The book offers an invaluable resource for graduate and postgraduate students, as well as for researchers in academic and industrial laboratories working in the areas of chemoinformatics, medicinal and pharmaceutical chemistry and pharmacoinformatics.
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