Methods And Techniques In Drug Discovery
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Drug Discovery Strategies And Methods
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Author : Alexandros Makriyannis
language : en
Publisher: CRC Press
Release Date : 2003-11-04
Drug Discovery Strategies And Methods written by Alexandros Makriyannis and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-11-04 with Medical categories.
Navigate the complex and multidisciplinary path of drug discovery procedures with Drug Discovery Strategies and Methods-a well-organized and timely reference that analyzes methods in target identification and validation, lead detection, compound optimization, and biological testing. This volume addresses challenges encountered during the discovery of new pharmaceutical candidates including the use of cutting-edge techniques utilized in drug design and development. It considers key elements in the drug design cycle ranging from appropriateness of targets and disease models to compound characterization, safety, and efficacy and the role of protein crystallography in structure-based drug design.
Methods And Techniques In Drug Discovery
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Author : John Sterling
language : en
Publisher:
Release Date : 2005
Methods And Techniques In Drug Discovery written by John Sterling and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with Computers categories.
Modern Methods Of Drug Discovery
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Author : Alexander Hillisch
language : en
Publisher: Springer Science & Business Media
Release Date : 2002-12-11
Modern Methods Of Drug Discovery written by Alexander Hillisch and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-12-11 with Medical categories.
Research in the pharmaceutical industry today is in many respects quite different from what it used to be only fifteen years ago. There have been dramatic changes in approaches for identifying new chemical entities with a desired biological activity. While chemical modification of existing leads was the most important approach in the 1970s and 1980s, high-throughput screening and structure-based design are now major players among a multitude of methods used in drug discov ery. Quite often, companies favor one of these relatively new approaches over the other, e.g., screening over rational design, or vice versa, but we believe that an intelligent and concerted use of several or all methods currently available to drug discovery will be more successful in the medium term. What has changed most significantly in the past few years is the time available for identifying new chemical entities. Because of the high costs of drug discovery projects, pressure for maximum success in the shortest possible time is higher than ever. In addition, the multidisciplinary character of the field is much more pronounced today than it used to be. As a consequence, researchers and project managers in the pharmaceutical industry should have a solid knowledge of the more important methods available to drug discovery, because it is the rapidly and intelligently combined use of these which will determine the success or failure of preclinical projects.
Computational Approaches In Drug Discovery Development And Systems Pharmacology
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Author : Rupesh Kumar Gautam
language : en
Publisher: Elsevier
Release Date : 2023-02-15
Computational Approaches In Drug Discovery Development And Systems Pharmacology written by Rupesh Kumar Gautam and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-02-15 with Medical categories.
Computational Approaches in Drug Discovery, Development and Systems Pharmacology provides detailed information on the use of computers in advancing pharmacology. Drug discovery and development is an expensive and time-consuming practice, and computer-assisted drug design (CADD) approaches are increasing in popularity in the pharmaceutical industry to accelerate the process. With the help of CADD, scientists can focus on the most capable compounds so that they can minimize the synthetic and biological testing pains. This book examines success stories of CADD in drug discovery, drug development and role of CADD in system pharmacology, additionally including a focus on the role of artificial intelligence (AI) and deep machine learning in pharmacology. Computational Approaches in Drug Discovery, Development and Systems Pharmacology will be useful to researchers and academics working in the area of CADD, pharmacology and Bioinformatics. - Explains computer use in pharmacology using real-life case studies - Provides information about biological activities using computer technology, thus allowing for the possible reduction of the number of animals used for research - Describes the role of AI in pharmacology and applications of CADD in various diseases
In Silico Methods For Drug Design And Discovery
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Author : Simone Brogi
language : en
Publisher: Frontiers Media SA
Release Date : 2020-10-09
In Silico Methods For Drug Design And Discovery written by Simone Brogi and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-09 with Science categories.
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
Modern Approaches In Drug Discovery
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Author :
language : en
Publisher: Academic Press
Release Date : 2018-10-31
Modern Approaches In Drug Discovery written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-31 with Science categories.
Modern Approaches in Drug Discovery, Volume 611, the latest release in the Methods in Enzymology series, highlights new advances in the field, with this new volume presenting interesting chapters on topics such as Target Identification and Validation, Cell Painting/High Content Imaging, Target ID using chemical probes, Mining the microbiome for targets, Data driven approaches for diversity and drug-likeness, Affinity-based screening, Fragment screening (X-ray), Array-based approaches, Hit-to-lead: assessment and improvement of drug-like properties, Hit assessment and prioritization, Lead Optimization: fine tuning and risk mitigation, and more. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in the Methods in Enzymology series - Updated release includes the latest information on the Intrinsically Disordered Proteins
Computational And Structural Approaches To Drug Discovery
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Author : Robert M. Stroud
language : en
Publisher: Royal Society of Chemistry
Release Date : 2008
Computational And Structural Approaches To Drug Discovery written by Robert M. Stroud and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with Medical categories.
1.-Facing the Wall in Computationally Based Approaches to Drug Discovery / Janet S. Finer-Moore and Jeff Blaney and Robert M. Stroud. 2.-The Changing Landscape in Drug Discovery / Hugo Kubinyi. 3.-Purine Nucleoside Phosphorylase / Yang Zhang and Steven E. Ealick. 4.-Application and Limitations of X-Ray Crystallographic Data in Structure-Guided Ligand and Drug Design / Andrew M. Davis and Simon J. Teague and Gerard J. Kleywegt. 5.-Dealing with Bound Waters in a Site: Do they Leave or Stay? / Donald Hamelberg and J. Andrew McCammon. 6.-Knowledge-Based Methods in Structure-Based Design / Marcel L. Verdonk and Wijnand T. M. Mooij. 7.-Combating Drug Resistance - Identifying Resilient Molecular Targets and Robust Drugs / Celia A. Schiffer. 8.-Docking Algorithms and Scoring Functions; State-of-the-Art and Current Limitations / Gregory L. Warren and Catherine E. Peishoff and Martha S. Head. 9.-Application of Docking Methods to Structure-Based Drug Design / Demetri T. Moustakas. 10.-Strength in Flexibility: Modeling Side-Chain Conformational Change in Docking and Screening / Leslie A. Kuhn. 11.-Avoiding the Rigid Receptor: Side-Chain Rotamers / Amy C. Anderson. 12.-Computational Prediction of Aqueous Solubility, Oral Bioavailability, P450 Activity and hERG Channel Blockade / David E. Clark. 13.-Shadows on Screens / Brian K. Shoichet and Brian Y. Feng and Kristin E. D. Coan. 14.-Iterative Docking Strategies for Virtual Ligand Screening / Albert E. Beuscher IV and Arthur J. Olson. 15.-Challenges and Progresses in Calculations of Binding Free Energies - What Does it Take to Quantify Electrostatic Contributions to Protein-Ligand Interactions? / Mitsunori Kato and Sonja Braun-Sand and Arieh Warshel. 16.-Discovery and Extrapolation of Fragment Structures towards Drug Design / Alessio Ciulli and Tom L. Blundell and Chris Abell. 17.-A Link Means a Lot: Disulfide Tethering in Structure-Based Drug Design / Jeanne A. Hardy. 18.-The Impact of Protein Kinase Structures on Drug Discovery / Chao Zhang and Sung-Hou Kim.
Chemoinformatics Approaches To Structure And Ligand Based Drug Design
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Author : Adriano D. Andricopulo
language : en
Publisher: Frontiers Media SA
Release Date : 2019-02-05
Chemoinformatics Approaches To Structure And Ligand Based Drug Design written by Adriano D. Andricopulo and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-02-05 with categories.
Chemoinformatics is paramount to current drug discovery. Structure- and ligand-based drug design strategies have been used to uncover hidden patterns in large amounts of data, and to disclose the molecular aspects underlying ligand-receptor interactions. This Research Topic aims to share with a broad audience the most recent trends in the use of chemoinformatics in drug design. To that end, experts in all areas of drug discovery have made their knowledge available through a series of articles that report state-of-the-art approaches. Readers are provided with outstanding contributions focusing on a wide variety of topics which will be of great value to those interested in the many different and exciting facets of drug design.
Chemical And Structural Approaches To Rational Drug Design
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Author : David B. Weiner
language : en
Publisher: CRC Press
Release Date : 2020-12-18
Chemical And Structural Approaches To Rational Drug Design written by David B. Weiner and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-12-18 with Medical categories.
This book is the first to provide both a broad overview of the current methodologies being applied to drug design and in-depth analyses of progress in specific fields. It details state-of-the-art approaches to pharmaceutical development currently used by some of the world's foremost laboratories. The book features contributors from a variety of fields, new techniques, previously unpublished data, and extensive reference lists.
Computational Approaches In Drug Discovery And Precision Medicine
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Author : Zunnan Huang
language : en
Publisher: Frontiers Media SA
Release Date : 2021-03-15
Computational Approaches In Drug Discovery And Precision Medicine written by Zunnan Huang and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-15 with Science categories.