Rapid Drug Design
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Quick Guideline For Computational Drug Design Revised Edition
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Author : Sheikh Arslan Sehgal
language : en
Publisher: Bentham Science Publishers
Release Date : 2021-09-16
Quick Guideline For Computational Drug Design Revised Edition written by Sheikh Arslan Sehgal and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-16 with Science categories.
Bioinformatics allows researchers to answer biological questions with advanced computational methods which involves the application of statistics and mathematical modeling. Structural bioinformatics enables the prediction and analysis of 3D structures of macromolecules while Computer Aided Drug Designing (CADD) assists scientists to design effective active molecules against diseases. However, the concepts in structural bioinformatics and CADD can be complex to understand for students and educated laymen. This quick guideline is intended as a basic manual for beginner students and instructors involved in bioinformatics and computational chemistry courses. Readers will learn the basics of structural bioinformatics, primary and secondary analysis and prediction, structural visualization, structural analysis and molecular docking. The book provides the reader an easy to read summary of the tools and techniques in structural bioinformatics as well as their limitations. In this revised edition, the authors have updated information in a number of chapters with a specific focus on the section on protein structure visualization and evaluation. Additional information on protein-ligand interaction studies has also been provided in this new edition. Therefore, the book is a useful handbook for aspiring scholars who wish to learn the basic concepts in computational analysis of biomolecules.
Rapid Drug Design By Computers
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Author : Sushma Sood
language : en
Publisher: Drug design by computers
Release Date : 2010-02-28
Rapid Drug Design By Computers written by Sushma Sood and has been published by Drug design by computers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-02-28 with categories.
A drug design by traditional method is a cumbersome process. It could involve huge amount of money to develop a trial drug.However, to aid this process, modern computers can be extensively used, which can develop a drug at roughly no cost theoretically. And then the experimental trials can be done.To help people understand and assimilate the material, we have offered the subject matter in a simple and lucid manner.After going through the book, we are sure that reader will be able to make the use of computer in designing a drug. It could save millions of dollars if drug is first theoretically calculated and then made experimental trial.
Drug Design Strategies
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Author : David J. Livingstone
language : en
Publisher: Royal Society of Chemistry
Release Date : 2012
Drug Design Strategies written by David J. Livingstone 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 2012 with Medical categories.
This book brings together drug design practitioners, all leaders in their field, who are actively advancing the field of quantitative methods to guide drug discovery, from structure-based design to empirical statistical models - from rule-based approaches to toxicology to the fields of bioinformatics and systems biology. The aim of the book is to show how various facets of the drug discovery process can be addressed in a quantitative fashion (ie: numerical analysis to enable robust predictions to be made). Each chapter includes a brief review of the topic showing the historical development of.
Innovations And Implementations Of Computer Aided Drug Discovery Strategies In Rational Drug Design
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Author : Sanjeev Kumar Singh
language : en
Publisher: Springer Nature
Release Date : 2021-02-02
Innovations And Implementations Of Computer Aided Drug Discovery Strategies In Rational Drug Design written by Sanjeev Kumar Singh and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-02 with Science categories.
This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows. In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.
Fragment Based Drug Discovery
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Author : Edward R. Zartler
language : en
Publisher: John Wiley & Sons
Release Date : 2008-11-20
Fragment Based Drug Discovery written by Edward R. Zartler and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-11-20 with Science categories.
Fragment-based drug discovery (FBDD) is a new paradigm in drug discovery that utilizes very small molecules - fragments of larger molecules. It is a faster, cheaper, smarter way to do drug discovery, as shown by the number of pharmaceutical companies that have embraced this approach and the biotechnology companies who use fragments as their sole source of drug discovery. Fragment-Based Drug Discovery: A Practical Approach is a guide to the techniques and practice of using fragments in drug screening. The emphasis is on practical guidance, with procedures, case studies, practical tips, and contributions from industry. Topics covered include: an introduction to fragment based drug discovery, why using fragments is a more efficient process than predominant models, and what it means to have a successful FBDD effort. setting up an FBDD project library building and production NMR in fragment screening and follow up application of protein-ligand NOE matching to the rapid evaluation of fragment binding poses target immobilized NMR screening: validation and extension to membrane proteins in situ fragment-based medicinal chemistry: screening by mass spectrometry computational approaches to fragment and substructure discovery and evaluation virtual fragment scanning: current trends, applications and web based tools fragment-based lead discovery using covalent capture methods case study from industry: the identification of high affinity beta-secretase inhibitors using fragment-based lead generation With contributions from industry experts who have successfully set up an industrial fragment-based research program, Fragment-Based Drug Discovery: A Practical Approach offers essential advice to anyone embarking on drug discovery using fragments and those looking for a new approach to screening for drugs.
Improving And Accelerating Therapeutic Development For Nervous System Disorders
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Author : Institute of Medicine
language : en
Publisher: National Academies Press
Release Date : 2014-02-06
Improving And Accelerating Therapeutic Development For Nervous System Disorders written by Institute of Medicine and has been published by National Academies Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-02-06 with Medical categories.
Improving and Accelerating Therapeutic Development for Nervous System Disorders is the summary of a workshop convened by the IOM Forum on Neuroscience and Nervous System Disorders to examine opportunities to accelerate early phases of drug development for nervous system drug discovery. Workshop participants discussed challenges in neuroscience research for enabling faster entry of potential treatments into first-in-human trials, explored how new and emerging tools and technologies may improve the efficiency of research, and considered mechanisms to facilitate a more effective and efficient development pipeline. There are several challenges to the current drug development pipeline for nervous system disorders. The fundamental etiology and pathophysiology of many nervous system disorders are unknown and the brain is inaccessible to study, making it difficult to develop accurate models. Patient heterogeneity is high, disease pathology can occur years to decades before becoming clinically apparent, and diagnostic and treatment biomarkers are lacking. In addition, the lack of validated targets, limitations related to the predictive validity of animal models - the extent to which the model predicts clinical efficacy - and regulatory barriers can also impede translation and drug development for nervous system disorders. Improving and Accelerating Therapeutic Development for Nervous System Disorders identifies avenues for moving directly from cellular models to human trials, minimizing the need for animal models to test efficacy, and discusses the potential benefits and risks of such an approach. This report is a timely discussion of opportunities to improve early drug development with a focus toward preclinical trials.
Frontiers In Drug Design Discovery Volume 10
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Author : Atta-ur-Rahman
language : en
Publisher: Bentham Science Publishers
Release Date : 2021-02-03
Frontiers In Drug Design Discovery Volume 10 written by Atta-ur-Rahman and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-03 with Medical categories.
Frontiers in Drug Design and Discovery is a book series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists have contributed chapters focused on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. This book series should prove to be of interest to all pharmaceutical scientists who are involved in research in drug design and discovery and who wish to keep abreast of rapid and important developments in the field. The tenth volume of this series brings together reviews covering topics related to the treatment of neoplasms, systems biology, respiratory diseases among others. Topics included in this volume are: - Recombinant Protein Production: from Bench to Biopharming - Plant Virus Nanoparticles and Virus like Particles (VLPs): Applications in Medicine - MAO Inhibitory Activity Of 4, 5-Dihydro-1 HPyrazole Derivatives: A Platform To Design Novel Antidepressants - Flavonoids Antagonize Effects of Alcohol in Cultured Hippocampal Neurons: A Drug Discovery Study - Hybrid Smart Materials for Topical Drug Delivery: Application of Scaffolds.
Biopharmaceutical Drug Design And Development
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Author : Susanna Wu-Pong
language : en
Publisher:
Release Date : 2014-01-15
Biopharmaceutical Drug Design And Development written by Susanna Wu-Pong and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-15 with categories.
Frontiers In Drug Design Discovery
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Author : Atta-ur-Rahman
language : en
Publisher: Bentham Science Publishers
Release Date : 2017-08-01
Frontiers In Drug Design Discovery written by Atta-ur-Rahman and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-08-01 with Medical categories.
Frontiers in Drug Design and Discovery is a book series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists have contributed chapters focused on all areas of rational drug design and drug discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. This book series should prove to be of interest to all pharmaceutical scientists who are involved in research in drug design and discovery and who wish to keep abreast of rapid and important developments in the field.
Advances In Drug Discovery Techniques
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Author : Alan L. Harvey
language : en
Publisher: CRC Press
Release Date : 1998-08-15
Advances In Drug Discovery Techniques written by Alan L. Harvey and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-08-15 with Medical categories.
A guide to techniques for the discovery and evaluation of pharamcologically active compounds for therapeutic development, this book covers rational drug design, high-throughput screening, and genetic approaches to drug discovery. The authors focus on advances in the use of combinatorial chemistry and natural products, both of which support the chemical diversity for many drug screening programmes. They examine typical screening studies and their link to robotics and informatics in detail and present an overview of current progress within anitsense therapeutics. The book explores the rapid changes in drug discovery resulting from developments in molecular biology, robotics, and informatics.