Computational and Experimental Approaches in Multi-target Pharmacology

Computational and Experimental Approaches in Multi-target Pharmacology

Author: Thomas J. Anastasio

Publisher: Frontiers Media SA

ISBN: 9782889452521

Category: Electronic book

Page: 124

View: 955

The next frontier in pharmacology is the development of multi-target strategies in which pathological processes are controlled by pharmacologically manipulating them at many different points at once. Designing multi-target strategies will require deep understanding of the complex physiology that underlies pathological processes. It will also require the development of single drugs with multiple targets, or combinations of drugs with compatible pharmacokinetics that work synergistically to maximize desirable effects while minimizing unwanted side effects. This e-Book contains ten original articles, each addressing a different aspect of this challenge. Together they open new perspectives and show the way forward in the development of multi-target therapeutics.

Essentials of Bioinformatics, Volume II

Essentials of Bioinformatics, Volume II

Author: Noor Ahmad Shaik

Publisher: Springer Nature

ISBN: 9783030183752

Category: Science

Page: 309

View: 958

Bioinformatics is an integrative field of computer science, genetics, genomics, proteomics, and statistics, which has undoubtedly revolutionized the study of biology and medicine in past decades. It mainly assists in modeling, predicting and interpreting large multidimensional biological data by utilizing advanced computational methods. Despite its enormous potential, bioinformatics is not widely integrated into the academic curriculum as most life science students and researchers are still not equipped with the necessary knowledge to take advantage of this powerful tool. Hence, the primary purpose of our book is to supplement this unmet need by providing an easily accessible platform for students and researchers starting their career in life sciences. This book aims to avoid sophisticated computational algorithms and programming. Instead, it focuses on simple DIY analysis and interpretation of biological data with personal computers. Our belief is that once the beginners acquire these basic skillsets, they will be able to handle most of the bioinformatics tools for their research work and to better understand their experimental outcomes. Our second title of this volume set In Silico Life Sciences: Medicine provides hands-on experience in analyzing high throughput molecular data for the diagnosis, prognosis, and treatment of monogenic or polygenic human diseases. The key concepts in this volume include risk factor assessment, genetic tests and result interpretation, personalized medicine, and drug discovery. This volume is expected to train readers in both single and multi-dimensional biological analysis using open data sets, and provides a unique learning experience through clinical scenarios and case studies.

Contemporary Chemical Approaches for Green and Sustainable Drugs

Contemporary Chemical Approaches for Green and Sustainable Drugs

Author: Marianna Torok

Publisher: Elsevier

ISBN: 9780128232712

Category: Medical

Page: 568

View: 233

Contemporary Chemical Approaches for Green and Sustainable Drugs provides readers with the knowledge they need to integrate sustainable approaches into their work. Sections cover different aspects of green and sustainable drug development from design to disposal, including computer-aided drug design, green resourcing of drugs and drug candidates, an overview of the health concerns of pharmaceutical pollution, and a survey of potential chemical methods for its reduction. Drawing together the knowledge of a global team of experts, this book provides an inclusive overview of the chemical tools and approaches available for minimizing the negative environmental impact of current and newly developed drugs. This will be a useful guide for all academic and industrial researchers across green and sustainable chemistry, medicinal chemistry, environmental chemistry and pharmaceutical science. Provides an integrative overview of the environmental risks of drugs and drug by products to support chemists in pre-emptively addressing these issues Highlights the advantages of computer-aided drug design, green and sustainable sourcing, and novel methods for the production of safer, more effective drugs Presents individual chapters written by renowned experts with diverse backgrounds Reflects research in practice through selected case studies and extensive state-of-the-art reference sections to serve as a starting point in the design of any specialized environmentally-conscious medicinal chemistry project

Polypharmacology

Polypharmacology

Author: Zhiguo Wang

Publisher: Springer Nature

ISBN: 9783031049989

Category: Medical

Page: 870

View: 131

There is a growing interest in unmet needs for the development of a new discipline in drug discovery and in university education on polypharmacology. However, there has not been a book with the comprehensive compilation of basic knowledge and advanced methodology that is needed. This book aims to meet the needs making Polypharmacology a new sub-discipline of Pharmacology, not only being a hot area of pharmacological research and education but also a new paradigm for drug discovery. It contains the contents covering the entire scope of Polypharmacology including systemic in-depth exposition of basic knowledge, novel concepts, innovative technologies, and translational and clinical applications by showcasing state-of-the-art strategies and step-by-step instructions of cutting-edge methods. The contents of this book targets broad readerships including scientists in pharmacology research and drug development, and university teachers and graduates in medical school or school of pharmacy.

Computer-Aided Drug Design

Computer-Aided Drug Design

Author: Dev Bukhsh Singh

Publisher: Springer Nature

ISBN: 9789811568152

Category: Medical

Page: 306

View: 514

This book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates. It also explores computational approaches for identifying potential drug targets and for pharmacophore modeling. Moreover, it presents structure- and ligand-based drug design tools to optimize known drugs and guide the design of new molecules. The book also describes methods for identifying small-molecule binding pockets in proteins, and summarizes the databases used to explore the essential properties of drugs, drug-like small molecules and their targets. In addition, the book highlights various tools to predict the absorption, distribution, metabolism, excretion (ADME) and toxicity (T) of potential drug candidates. Lastly, it reviews in silico tools that can facilitate vaccine design and discusses their limitations.

Multi-Scale Approaches in Drug Discovery

Multi-Scale Approaches in Drug Discovery

Author: Alejandro Speck-Planche

Publisher: Elsevier

ISBN: 9780081012420

Category: Science

Page: 238

View: 817

Drug discovery is an expensive, time-consuming process and the modern drug discovery community is constantly challenged not only with discovering novel bioactive agents to combat resistance from known diseases and fight against new ones, but to do so in a way that is economically effective. Advances in both experimental and theoretical/computational methods envisage that the greatest challenges in drug discovery can be most successfully addressed by using a multi-scale approach, drawing on the specialties of a whole host of different disciplines. Multi-Scale Approaches to Drug Discovery furnishes chemists with the detail they need to identify drug leads with the highest potential before isolating and synthesizing them to produce effective drugs with greater swiftness than classical methods may allow. This significantly speeds up the search for more efficient therapeutic agents. After an introduction to multi-scale approaches outlining the need for and benefits of their use, the book goes on to explore a range of useful techniques and research areas, and their potential applications to this process. Profiling drug binding by thermodynamics, machine learning for predicting enzyme sub-classes, and multitasking models for computer-aided design and virtual compound screening are discussed, before the book goes on to review Alkaloid Menispermaceae leads, natural chemotherapeutic agents and methods for speeding up the design and virtual screening of therapeutic peptides. Flavonoids as multi-target compounds are then explored, before the book concludes with a review of Quasi-SMILES as a novel tool. Collecting together reviews and original research contributions written by leading experts in the field, Multi-Scale Approaches to Drug Discovery highlights cutting-edge approaches and practical examples of their implementation for those involved in the drug discovery process at many different levels. Using the combined knowledge of medicinal, computational, pharmaceutical and bio- chemists, it aims to support growth in the multi-scale approach to promote greater success in the development of new drugs. Offers practical guidance on ways to implement multiscale approaches for increased efficiency in drug discovery Draws on the experience of a highly skilled team of authors under the editorial guidance of one of the field's leading experts Includes cutting-edge techniques at the forefront of medicinal chemistry and drug discovery optimization

Advances in Personalized Nanotherapeutics

Advances in Personalized Nanotherapeutics

Author: Ajeet Kaushik

Publisher: Springer

ISBN: 9783319636337

Category: Medical

Page: 240

View: 377

Personalized health care to manage diseases and optimized treatment is crucial for everyone to maintain health quality. Significant efforts have been made to design and develop novel nano-enabling therapeutic strategies to cure and monitor diseases for personalized health care. As state-of-the-art, various strategies have been reported to develop personalized nanomedicine to combat against target diseases with no side effects. In this book proposal, we are trying to describe fundamentals of personalized nanomedicine, novel nanomaterials for drug delivery, role of nanotechnology for efficient therapeutics approach, nano-pharmacology, targeted CNS drug delivery, stimuli responsive drug release and nanotechnology for diseases management. This book would serve as a platform for new scholars to understand state-of-the-art of nanotechnology for therapeutics and designing their future research to develop effective personalized nanomedicine against targeted diseases. As of now, various studies have been reported to design and develop nanomedicines of higher efficacy but unfortunately, such products are up to laboratory research only and need to be well-tested using pre-clinical or human models. Our book would be a call for experts to explore multidisciplinary research for developing novel and efficient approaches to explore smart efficient nanocarriers for site-specific on-demand controlled drug delivery to combat against targeted diseases to personalized health care.

Biomedical Translational Research

Biomedical Translational Research

Author: R.C. Sobti

Publisher: Springer Nature

ISBN: 9789811692321

Category: Medical

Page: 597

View: 188

This book, which is the third volume of Biomedical translational research, focuses on the fundamental role of biomedical research in developing new medicinal products. It emphasizes the importance of understanding biological and pathophysiological mechanisms underlying the disease to discover and develop new biological agents. The book uniquely explores the genomic computational integrative approach for drug repositioning. Further, it discusses the health benefits of nutraceuticals and their application in human diseases. Further, the book comprehensively reviews different computational approaches that employ GWAS data to guide drug repositioning. Finally, it summarizes the major challenges in drug development and the strategies for the rational design of the next generation more effective but less toxic therapeutic agents.

Bioinformatics

Bioinformatics

Author: Dev Bukhsh Singh

Publisher: Academic Press

ISBN: 9780323900058

Category: Business & Economics

Page: 510

View: 501

Bioinformatics: Methods and Applications provides a thorough and detailed description of principles, methods, and applications of bioinformatics in different areas of life sciences. It presents a compendium of many important topics of current advanced research and basic principles/approaches easily applicable to diverse research settings. The content encompasses topics such as biological databases, sequence analysis, genome assembly, RNA sequence data analysis, drug design, and structural and functional analysis of proteins. In addition, it discusses computational approaches for vaccine design, systems biology and big data analysis, and machine learning in bioinformatics. It is a valuable source for bioinformaticians, computer biologists, and members of biomedical field who needs to learn bioinformatics approaches to apply to their research and lab activities. Covers basic and more advanced developments of bioinformatics with a diverse and interdisciplinary approach to fulfill the needs of readers from different backgrounds Explains in a practical way how to decode complex biological problems using computational approaches and resources Brings case studies, real-world examples and several protocols to guide the readers with a problem-solving approach