Revolutionizing Drug Discovery Cutting Edge Computational Techniques

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Revolutionizing Drug Discovery Cutting Edge Computational Techniques
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Author :
language : en
Publisher: Academic Press
Release Date : 2025-04-03
Revolutionizing Drug Discovery Cutting Edge Computational Techniques 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 2025-04-03 with Medical categories.
Revolutionizing Drug Discovery: Cutting-Edge Computational Techniques, Volume 103 is an essential guide for professionals, researchers, and students in the pharmaceutical and biotech industries, providing an in-depth look at how computational methods transform drug development. Chapters in this new release include Innovative Computational Approaches in Drug Discovery and Design, Advanced Molecular Modeling of Proteins: Methods, Breakthroughs, and Future Prospects, Predictive Cavity and Binding Site Identification: Techniques and Applications, ADMET Tools in the Digital Era: Applications and Limitations, Essential Database Resources for Modern Drug Discovery, Deep Learning for Drug Design and Development, and much more.Other sections cover Molecular Docking and Structure-Based Drug Design: From Theory to Practice, Molecular Dynamics Simulations: Insights into Protein and Protein-Ligand Interactions, Targeting Disease: Computational Approaches for Drug Target Identification, High-throughput computational Screening for Lead Discovery and Development, Harnessing Machine Learning for Rational Drug Design, Identifying Novel Drug Targets with Computational Precision, Computational Exploration of Viral Cell Membrane Structures for Identifying Novel Therapeutic Target, and many more interesting topics. - Offers expert insights from leading authorities on computational techniques in drug discovery, ensuring readers gain accurate, cutting-edge knowledge - Includes illustrative graphics and case studies to enhance comprehension and engagement for readers across disciplines - Provides forward-looking perspectives on the role of computational methods in drug development, highlighting both current advancements and future trends
Converging Pharmacy Science And Engineering In Computational Drug Discovery
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Author : Tripathi, Rati Kailash Prasad
language : en
Publisher: IGI Global
Release Date : 2024-04-22
Converging Pharmacy Science And Engineering In Computational Drug Discovery written by Tripathi, Rati Kailash Prasad and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-04-22 with Medical categories.
The world of pharmaceutical research is moving at lightning speed, and the age-old approach to drug discovery faces many challenges. It's a fascinating time to be on the cutting edge of medical innovation, but it's certainly not without its obstacles. The process of developing new drugs is often time-consuming, expensive, and fraught with uncertainty. Researchers are constantly seeking ways to streamline this process, reduce costs, and increase the success rate of bringing new drugs to market. One promising solution lies in the convergence of pharmacy science and engineering, particularly in computational drug discovery. Converging Pharmacy Science and Engineering in Computational Drug Discovery presents a comprehensive solution to these challenges by exploring the transformative synergy between pharmacy science and engineering. This book demonstrates how researchers can expedite the identification and development of novel therapeutic compounds by harnessing the power of computational approaches, such as sophisticated algorithms and modeling techniques. Through interdisciplinary collaboration, pharmacy scientists and engineers can revolutionize drug discovery, paving the way for more efficient and effective treatments. This book is an invaluable resource for pharmaceutical scientists, researchers, and engineers seeking to enhance their understanding of computational drug discovery. This book inspires future innovations by showcasing cutting-edge methodologies and innovative research at the intersection of pharmacy science and engineering. It contributes to the ongoing evolution of pharmaceutical research. It offers practical insights and solutions that will shape the future of drug discovery, making it essential reading for anyone involved in the pharmaceutical industry.
Drug Discovery And Development E Book
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Author : Raymond G Hill
language : en
Publisher: Elsevier Health Sciences
Release Date : 2012-07-20
Drug Discovery And Development E Book written by Raymond G Hill and has been published by Elsevier Health Sciences this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-07-20 with Medical categories.
The modern pharmacopeia has enormous power to alleviate disease, and owes its existence almost entirely to the work of the pharmaceutical industry. This book provides an introduction to the way the industry goes about the discovery and development of new drugs. The first part gives a brief historical account from its origins in the mediaeval apothecaries' trade, and discusses the changing understanding of what we mean by disease, and what therapy aims to achieve, as well as summarising case histories of the discovery and development of some important drugs. The second part focuses on the science and technology involved in the discovery process: the stages by which a promising new chemical entity is identified, from the starting point of a medical need and an idea for addressing it. A chapter on biopharmaceuticals, whose discovery and development tend to follow routes somewhat different from synthetic compounds, is included here, as well as accounts of patent issues that arise in the discovery phase, and a chapter on research management in this environment. The third section of the book deals with drug development: the work that has to be undertaken to turn the drug candidate that emerges from the discovery process into a product on the market. - The definitive introduction to how a pharmaceutical company goes about its business of discovering and developing drugs. The second edition has a new editor: Professor Raymond Hill ● non-executive director of Addex Pharmaceuticals, Covagen and of Orexo AB ● Visiting Industrial Professor of Pharmacology in the University of Bristol ● Visiting Professor in the School of Medical and Health Sciences at the University of Surrey ● Visiting Professor in Physiology and Pharmacology at the University of Strathclyde ● President and Chair of the Council of the British Pharmacological Society ● member of the Nuffield Council on Bioethics and the Advisory Council on Misuse of Drugs. New to this edition: - Completely rewritten chapter on The Role of Medicinal Chemistry in the Drug Discovery Process. - New topic - DMPK Optimization Strategy in drug discovery. - New chapter on Scaffolds: Small globular proteins as antibody substitutes. - Totally updated chapters on Intellectual Property and Marketing - 50 new illustrations in full colour Features - Accessible, general guide to pharmaceutical research and development. - Examines the interfaces between cost and social benefit, quality control and mass production, regulatory bodies, patent management, and all interdisciplinary intersections essential to effective drug development. - Written by a strong team of scientists with long experience in the pharmaceutical industry. - Solid overview of all the steps from lab bench to market in an easy-to-understand way which will be accessible to non-specialists. From customer reviews of the previous edition: '... it will have everything you need to know on this module. Deeply referenced and, thus, deeply reliable. - Highly Commended in the medicine category of the BMA 2006 medical book competition - Winner of the Royal Society of Medicine Library Prize for Medical Book of the Year
Computational Drug Discovery
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Author : Pooja A. Chawla
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2024-10-07
Computational Drug Discovery written by Pooja A. Chawla and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-07 with Science categories.
Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics
Innovations In Drug Discovery
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Author : Krishnaveni Manubolu
language : en
Publisher: Taylor & Francis
Release Date : 2025-08-27
Innovations In Drug Discovery written by Krishnaveni Manubolu and has been published by Taylor & Francis this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-08-27 with Medical categories.
This fascinating volume delves into the forefront of pharmaceutical research to shed light on the ground-breaking methodologies and technologies driving advancements in drug discovery today. Providing a comprehensive overview of emerging trends and new approaches, it covers the entire drug discovery process, from target identification to clinical development, providing readers with a holistic understanding of the field. Each chapter outlines a different approach, from computational methods and high-throughput screening techniques to the application of artificial intelligence and machine learning in drug design. Additionally, it explores the integration of genomic, proteomic, and metabolomic data in target identification and validation processes, as well as the utilization of CRISPR/Cas9 technology for precision medicine initiatives. Highlighting the potential of interdisciplinary collaborations, elucidating the impact of big data analytics on decision-making processes, this fascinating book will appeal to students and researchers in the pharmaceutical and biotechnological sciences, as well as professionals in this field.
Artificial Intelligence And Machine Learning In Drug Design And Development
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Author : Abhirup Khanna
language : en
Publisher: John Wiley & Sons
Release Date : 2024-07-18
Artificial Intelligence And Machine Learning In Drug Design And Development written by Abhirup Khanna 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 2024-07-18 with Computers categories.
The book is a comprehensive guide that explores the use of artificial intelligence and machine learning in drug discovery and development covering a range of topics, including the use of molecular modeling, docking, identifying targets, selecting compounds, and optimizing drugs. The intersection of Artificial Intelligence (AI) and Machine Learning (ML) within the field of drug design and development represents a pivotal moment in the history of healthcare and pharmaceuticals. The remarkable synergy between cutting-edge technology and the life sciences has ushered in a new era of possibilities, offering unprecedented opportunities, formidable challenges, and a tantalizing glimpse into the future of medicine. AI can be applied to all the key areas of the pharmaceutical industry, such as drug discovery and development, drug repurposing, and improving productivity within a short period. Contemporary methods have shown promising results in facilitating the discovery of drugs to target different diseases. Moreover, AI helps in predicting the efficacy and safety of molecules and gives researchers a much broader chemical pallet for the selection of the best molecules for drug testing and delivery. In this context, drug repurposing is another important topic where AI can have a substantial impact. With the vast amount of clinical and pharmaceutical data available to date, AI algorithms find suitable drugs that can be repurposed for alternative use in medicine. This book is a comprehensive exploration of this dynamic and rapidly evolving field. In an era where precision and efficiency are paramount in drug discovery, AI and ML have emerged as transformative tools, reshaping the way we identify, design, and develop pharmaceuticals. This book is a testament to the profound impact these technologies have had and will continue to have on the pharmaceutical industry, healthcare, and ultimately, patient well-being. The editors of this volume have assembled a distinguished group of experts, researchers, and thought leaders from both the AI, ML, and pharmaceutical domains. Their collective knowledge and insights illuminate the multifaceted landscape of AI and ML in drug design and development, offering a roadmap for navigating its complexities and harnessing its potential. In each section, readers will find a rich tapestry of knowledge, case studies, and expert opinions, providing a 360-degree view of AI and ML’s role in drug design and development. Whether you are a researcher, scientist, industry professional, policymaker, or simply curious about the future of medicine, this book offers 19 state-of-the-art chapters providing valuable insights and a compass to navigate the exciting journey ahead. Audience The book is a valuable resource for a wide range of professionals in the pharmaceutical and allied industries including researchers, scientists, engineers, and laboratory workers in the field of drug discovery and development, who want to learn about the latest techniques in machine learning and AI, as well as information technology professionals who are interested in the application of machine learning and artificial intelligence in drug development.
Drug Discovery And Evaluation Safety And Pharmacokinetic Assays
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Author : Franz J. Hock
language : en
Publisher: Springer Nature
Release Date : 2024-10-21
Drug Discovery And Evaluation Safety And Pharmacokinetic Assays written by Franz J. Hock and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-21 with Medical categories.
Many aspects of drug safety have become an outstanding and even persistent issue and may occur during the process of both drug discovery and development. Until 15 years ago, drug discovery and evaluation was primarily a sequential process starting with the selection of the most pharmacologically active compound from a series of newly synthesized small molecule chemical series by means of distinctive pharmacological assays. Safety aspects were addressed by evaluation of the selected compound at high doses in a series of specific studies directed at indications other than the intended indication of the new compound. These tests are then followed by pharmacokinetic studies, which are primarily conducted to confirm whether the selected compound possesses a suitable half-life for sufficient exposure and efficacy and, whether it has the desired properties specificity to the intended route of administration. Safety aspects relied predominantly on the conduct of single and repeat toxicologydose studies, which inform changes in organ structure rather than organ function. Both toxicological and pharmacokinetic studies are adapted to the progress of studies in clinical pharmacology and clinical trials. The new edition of this well and broadly accepted reference work contains several innovative and distinguished chapters. This "sequential" strategy has been abandoned with this new version of the book for several reasons: - Of the possible multitude of negative effects that novel drugs may impart on organ function, e.g. ventricular tachy-arrhythmia, many are detected too late in non-clinical studies to inform clinicians. On the other hand, negative findings in chronic toxicity studies in animals may turn out to be irrelevant for human beings. - New scientific approaches, e.g. high-throughput screening, human pluripotent stem cells, transgenic animals, knock-out animals, in silico models, pharmaco-genomics and pharmaco-proteomics, as well as Artificial Intelligence (AI) methods offered new possibilities. - There are several examples, that show that the "druggability" of compounds was considerably underestimated when the probability of success of a new project was assessed. The success rate in the pharmaceutical industry and the introduction of new chemical entities to the market per year dropped dramatically, whereas the development time for a new compound increased, sometimes exceeding the patent protection. Research and development scientists, involving the following changes, therefore adopted a change of strategy: - Parallel instead of sequential involvement of the various disciplines (multidimensional compound optimization). - The term "Safety Pharmacology" was coined. The International Conference on Harmonization (ICH) founded a Safety Pharmacology Working Group and the Safety Pharmacology Society (SPS) was launched. The discipline provided for evaluation, development and validation of a multitude of safety tests outlined in the 'Core Battery of Studies'. - Characterizing the exposure profile of a drug by conducting pharmacokinetic studies that evaluates the absorption, distribution, metabolism and excretion should to be investigated at an early stage of development as results contribute to the selection of a compound for further development. Advancements in Toxicology were achieved by the introduction of new methods, e.g., in silico methods, genetic toxicology, computational toxicology and AI. The book is a landmark in the continuously changing world of drug research and developments. As such, it is essential reading for many groups: not only for all students of pharmacology and toxicology but also for industry scientists and physicians, especially those involved in clinical trials of drugs, and for pharmacists who must know the safety requirements of drugs. The book is essential for scientists and managers in the pharmaceutical industry who are involved in drug discovery, drug development and decision making in the development process. In particular, the book will be of use to government institutions and committees working on official guidelines for drug evaluation worldwide.
Burger S Medicinal Chemistry Drug Discovery And Development 8 Volume Set
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Author :
language : en
Publisher: John Wiley & Sons
Release Date : 2021-04-20
Burger S Medicinal Chemistry Drug Discovery And Development 8 Volume Set written by 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 2021-04-20 with Science categories.
Burger’s Medicinal Chemistry, Drug Discovery and Development Explore the freshly updated flagship reference for medicinal chemists and pharmaceutical professionals The newly revised eighth edition of the eight-volume Burger’s Medicinal Chemistry, Drug Discovery and Development is the latest installment in this celebrated series covering the entirety of the drug development and discovery process. With the addition of expert editors in each subject area, this eight-volume set adds 35 chapters to the extensive existing chapters. New additions include analyses of opioid addiction treatments, antibody and gene therapy for cancer, blood-brain barrier, HIV treatments, and industrial-academic collaboration structures. Along with the incorporation of practical material on drug hunting, the set features sections on drug discovery, drug development, cardiovascular diseases, metabolic diseases, immunology, cancer, anti-Infectives, and CNS disorders. The text continues the legacy of previous volumes in the series by providing recognized, renowned, authoritative, and comprehensive information in the area of drug discovery and development while adding cutting-edge new material on issues like the use of artificial intelligence in medicinal chemistry. Included: Volume 1: Methods in Drug Discovery, edited by Kent D. Stewart Volume 2: Discovering Lead Molecules, edited by Kent D. Stewart Volume 3: Drug Development, edited by Ramnarayan S. Randad and Michael Myers Volume 4: Cardiovascular, Endocrine, and Metabolic Diseases, edited by Scott D. Edmondson Volume 5: Pulmonary, Bone, Immunology, Vitamins, and Autocoid Therapeutic Agents, edited by Bryan H. Norman Volume 6: Cancer, edited by Barry Gold and Donna M. Huryn Volume 7: Anti-Infectives, edited by Roland E. Dolle Volume 8: CNS Disorders, edited by Richard A. Glennon Perfect for research departments in the pharmaceutical and biotechnology industries, Burger’s Medicinal Chemistry, Drug Discovery and Development can be used by graduate students seeking a one-stop reference for drug development and discovery and deserves its place in the libraries of biomedical research institutes, medical, pharmaceutical, and veterinary schools.
Computer Assisted Analysis For Digital Medicinal Imagery
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Author : Sinha, Amit
language : en
Publisher: IGI Global
Release Date : 2024-10-30
Computer Assisted Analysis For Digital Medicinal Imagery written by Sinha, Amit and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-30 with Medical categories.
The constantly evolving healthcare industry has experienced tremendous technological advancements that have significantly revolutionized medical imaging. However, with the increasing volume and complexity of medical image data, existing analysis methods must also be updated to be efficient and accurate. This is where the challenge lies—a need for a comprehensive solution that bridges the gap between cutting-edge technology and effective healthcare delivery. Computer-Assisted Analysis for Digital Medicinal Imagery offers a roadmap for navigating the intricate landscape of digital medicinal imagery analysis. Unlocking the power of machine learning and breaking down the basics provides researchers, clinicians, and students with the tools necessary to harness technology and improve healthcare outcomes.
Industry 4 0 And Healthcare
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Author : Ashish Mishra
language : en
Publisher: Springer Nature
Release Date : 2023-12-01
Industry 4 0 And Healthcare written by Ashish Mishra and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-12-01 with Computers categories.
This book presents different stages of Industrial Revolution in artificial intelligence and its impact on industry 4.0 and Healthcare. It contains chapters prepared for the industrial landscape which is being transformed to the fourth stage with the rise of autonomous robots, contemporary automation, cyber-physical systems, the Internet of things, and the Internet of services for examining the circumstances of health care system for the future. It highlights the emerging trends in integration of different intelligent manufacturing systems and advanced information technologies. Additionally, understanding of the real-world issues using artificial intelligence and the solutions discussed in this book help the enormous numbers of techniques which can be applied for effective diagnosis and predicting diseases from health care data.