Computational Drug Discovery and Design, Mohini Gore; Umesh B. Jagtap
Автор: Gore Название: Computational Drug Discovery and Design ISBN: 1493977555 ISBN-13(EAN): 9781493977550 Издательство: Springer Рейтинг: Цена: 12577.00 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: Alexander Heifetz Название: Computational Methods for GPCR Drug Discovery ISBN: 1493974645 ISBN-13(EAN): 9781493974641 Издательство: Springer Рейтинг: Цена: 20962.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume looks at modern computational strategies and techniques used in GPCR drug discovery including structure and ligand-based approaches and cheminformatics.
Автор: Atta-ur-Rahman Название: Drug Design and Discovery in Alzheimer`s Disease ISBN: 0128039590 ISBN-13(EAN): 9780128039595 Издательство: Elsevier Science Рейтинг: Цена: 15159.00 р. Наличие на складе: Поставка под заказ.
Описание:
Drug Design and Discovery in Alzheimer's Disease includes expert reviews of recent developments in Alzheimer's disease (AD) and neurodegenerative disease research. Originally published by Bentham as Frontiers in Drug Design and Discovery, Volume 6and now distributed by Elsevier, this compilation of the sixteen articles, written by leading global researchers, focuses on key developments in the understanding of the disease at molecular levels, identification and validation of molecular targets, as well as innovative approaches towards drug discovery, development, and delivery. Beginning with an overview of AD pharmacotherapy and existing blockbuster drugs, the reviews cover the potential of both natural and synthetic small molecules; the role of cholinesterases in the on-set and progression of AD and their inhibition; the role of beta-site APP clearing enzyme-1 (BACE-1) in the production of -amyloid proteins, one of the key reasons of the progression of AD; and other targets identified for AD drug discovery.
Edited and written by leading experts in Alzheimer's disease (AD) and other neurodegenerative disease drug development
Describes existing drugs for AD and current molecular understanding of the condition
Reviews recent advances in the field, including coverage of cholinesterases, BACE-1, and other drug development targets
Название: Textbook of Drug Design and Discovery, Fifth Edition ISBN: 1498702783 ISBN-13(EAN): 9781498702782 Издательство: Taylor&Francis Рейтинг: Цена: 19906.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
Building on the success of the previous editions, the Textbook of Drug Design and Discovery, Fifth Edition, has been thoroughly revised and updated to provide a complete source of information on all facets of drug design and discovery for students of chemistry, pharmacy, pharmacology, biochemistry, and medicine. The information is presented in an up-to-date review form with an underlying and fundamental focus on the educational aspects.
Beginning with an introduction to drug design and discovery, the first eight chapters cover molecular recognition, ligand-based drug design, and biostructure-based drug design. The authors also discuss drug-like properties and decision making in medicinal chemistry, chemical biology, natural products in drug discovery, and in vivo imaging in drug discovery.
The middle six chapters provide an overview of peptide and protein drug design, prodrugs in drug design and development, and enzyme inhibitors. The authors also go through receptors (structure, function, and pharmacology), ion channels (structure and function), and neurotransmitter transporters (structure, function, and drug binding).
The following chapters address important neurotransmitter systems, GABA and glutamic acid receptors and transporter ligands, acetylcholine, histamine, dopamine and serotonin, and opioid and cannabinoid receptors. The book concludes with an examination of neglected diseases, anticancer agents, tyrosine kinase receptors, and antibiotics.
Автор: Dastmalchi Siavoush, Hamzeh-Mivehroud Maryam, Sokouti Babak Название: Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery ISBN: 1522501150 ISBN-13(EAN): 9781522501152 Издательство: Mare Nostrum (Eurospan) Рейтинг: Цена: 40128.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimal care to patients, the development of innovative pharmacological techniques has become a widely studied topic.The Handbook of Research on Molecular Docking-Based Drug Design and Discovery investigates the evolution of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting theoretical backgrounds and emergent research in the area of computer-assisted drug design, this publication is a pivotal source for professionals, researchers, medical chemists, pharmaceutical experts, and students interested in innovative practices and findings within the fields of computational chemistry and pharmaceutical sciences.
Описание: Updated and revised, this fourth edition of a bestseller provides current and comprehensive information on all aspects of drug design and discovery. The first part of the book covers general aspects, methods, and principles and the second section covers specific targets and diseases. Topics new to this edition include biostructure- and ligand-based drug design, natural products, imaging, neurotransmitter transporters, opioid and cannabinoid receptors, hypnotics, neglected diseases, and antibiotics. Each chapter includes references for further study. Most chapters also supply background and history needed to provide context, as well as conclusions that summarize the important points.
Автор: Riccardo Baron Название: Computational Drug Discovery and Design ISBN: 1493962272 ISBN-13(EAN): 9781493962273 Издательство: Springer Рейтинг: Цена: 21661.00 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.
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: 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.
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: Alexander Heifetz Название: Computational Methods for GPCR Drug Discovery ISBN: 1493984942 ISBN-13(EAN): 9781493984947 Издательство: Springer Рейтинг: Цена: 15372.00 р. Наличие на складе: Поставка под заказ.
Описание: This volume looks at modern computational strategies and techniques used in GPCR drug discovery including structure and ligand-based approaches and cheminformatics. The chapters in this book describe how these approaches can be applied to address key drug discovery issues, such as receptor structure modelling, function and dynamics, prediction of protein-water-ligand interactions and binding kinetics, free energy of binding, interconversion between agonists and antagonists, deorphanization of GPCRs, and the discovery of biased and allosteric modulators. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modelling protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and unique,Computational Methods for GPCR Drug Discovery is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.
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