Phytochemistry, Computational Tools and Databases in Drug Discovery presents the state-of-the-art in computational methods and techniques for drug discovery studies from medicinal plants. Various tools and databases for virtual screening and characterization of plant bioactive compounds and their subsequent predictions on biological targets for the discovery of new drugs against specific diseases are presented, along with computational tools for the prediction of the toxic effects of phytochemicals on living systems. The book also provides in-depth insight on the applications of these computational tools as well as the databases that describe the interactions of phytochemicals with diseases along with predictions for druggable bioactive compounds. Useful for drug developers, medicinal chemists, toxicologists, phytochemists, plant biochemists and analytical chemists, this book clearly presents the various computational techniques, tools and databases for phytochemical research.

Advances in Epidemiological Modeling and Control of Viruses covers recent and advanced research works in the field of epidemiological modeling, with special emphasis on new strategies to control the occurrence and reoccurrence of viruses. The models included in this book can be used to study the dynamics of different viruses, searching for control measures, and epidemic models under various effects and environments. This book covers different models and methods of modeling, including data-driven approaches. The authors and editors are experienced researchers, and each chapter has been designed to provide readers with leading-edge information on topics discussed.

Coronavirus Drug Discovery, Volume Three: Druggable Targets and In Silico Update presents comprehensive information on drug discovery against COVID-19. Chapters in Part One of this volume describe the various druggable targets and associated signaling pathways for effective targeting of SARS-CoV-2. In Part Two, chapters discuss the various computational approaches and in silico studies against SARS-CoV-2. Written by global team of experts, this book is an excellent resource that will be extremely useful to drug developers, medicinal chemists, pharmaceutical companies in R&D, research institutes in both academia and industry, and the National Library of Medicines and Health. In addition, agencies such as the National Institutes of Health, Centers for Disease Control and Prevention, World Health Organization, European Medicines Agency, the US Food and Drug Administration, and all others involved in drug discovery against COVID-19 will find this book useful.

Addition, Elimination and Substitution: Markovnikov, Hofmann, Zaitsev and Walden: Discovery and Development discusses foundational reactions in organic chemistry and their major protagonists, contributions to synthesis, and history. Hofmann, Zaitsev, and Markovnikov are introduced, along with their major discoveries and contributions to organic chemistry. The history of controversies around Markovnikov's Rule are addressed. The book introduces Walden's original demonstration of configuration inversion, then discusses bimolecular elimination reactions, regioselective addition reactions, regiospecific alkene synthesis, and the development of modern reactions with configuration inversion. With its unique perspective, focus, and comprehensive coverage, this book belongs on the shelf of every organic chemist.

Virtual Screening and Drug Docking, Volume 59 in the Annual Reports on Medicinal Chemistry series, highlights new advances in the field, with this new volume presenting interesting chapters on a variety of timely topics, including Can docking scoring functions guarantee success in virtual screening?, No dance, no partner! A tale of flexibility in docking and virtual screening, Handling Imbalance Data in Virtual Screening, Rational computational approaches to predict novel drug candidates against leishmaniasis, Virtual screening against Mtb DNA gyrase: Applications and success stories, Using Filters in Virtual Screening: A Brief Guide to Minimize Errors and Maximize Efficiency, and more. Additional chapters in the new release include Machine Learning and Deep Learning Strategies for Virtual Screening, Applications of the Virtual Screening to find the novel HIV-1 therapeutic agents, and Large-scale screening of small molecules with docking strategies and its impact on drug discovery.

Emerging Nanomaterials and Nano-based Drug Delivery Approaches to Combat Antimicrobial Resistance focuses on recent and emerging trends surrounding nanomaterials and nano-drug delivery approaches to combat antimicrobial resistance. The relationship between nanomaterials and antimicrobial activity needs to be deeply explored to meet the challenges of combating antimicrobial resistance. The content of this book is divided into three main topic areas, including (i) how to overcome the existing traditional approaches to combat antimicrobial resistance, (ii) applying multiple drug delivery mechanisms to target multi-drug resistant microbes, and (iii) how nanomaterials can be used as drug carriers. This is an important reference source for those looking to understand how nanotechnology plays an important role in combatting disease and infection. As antimicrobial resistance threatens the effective prevention and treatment of an ever-increasing range of infections caused by bacteria, parasites, viruses, and fungi, this is a timely resource.

Discoveries in Pharmacology: Volume 1: Nervous system and hormones (2nd Ed.) presents selected articles from the historic Discoveries in Pharmacology series enhanced with commentary from contemporary scholars about the reception and importance of the chapter along with an updated bibliography on the subject with contributions from a Nobel Prize winner and other pioneers in Pharmacology. The Discoveries in Pharmacology series brought acknowledged experts in their fields together to provide first-hand accounts of important pharmacological discoveries discussing the scientific background and stories behind these pivotal moments. They allow a true understanding of the means by which pharmacological discoveries are made. This volume brings forth discussions on key discoveries in psycho- and neuro-pharmacology, haemodynamics, and hormones including chapters on antipsychotic agents by Nobel winner Anders Carlsson, Willy Haefely on benzodiazepine, and butyrophenone-type neuroleptics by P. A. J. Janssen and J. P. Tollenaere. Academic and industry researchers in pharmacology and medicine, as well as advanced students in the area will find this series a useful teaching tool and launch to new discoveries. Chapters can also be used to supplement course material in pharmacology and medical courses. It will also be of interest to those who are interested in the history of medicine.

Medicinal Chemistry of Tick-Borne Encephalitis, Volume 58 in the Annual Reports in Medicinal Chemistry serial, highlights new advances in the field, with this new volume presenting interesting chapters on the Discovery of small molecule TBEV antivirals, Perylene as a controversial antiviral scaffold, Animal models of TBEV infection for preclinical studies of drugs and vaccines, Insights from experience in the treatment of tick-borne bacterial co-infections with tick-borne encephalitis, Small molecule-based inhibitors of flaviviral RNA-dependent RNA-polymerase: prospective candidates for treatment of tick-borne encephalitis virus infection, and Structural Biology and Proteomics of Tick-Borne Encephalitis Virus.

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.

Pharmacology and Toxicology of Cytochrome P450 - 60th Anniversary, Volume 95 highlights the extensive contributions by worldwide researchers in the cytochrome P450 (P450) field over the past six decades, and since the first article on P450 was published in 1962. Chapters in this new release include Multiple conformations of cytochromes P450 and the relevance to predicting SAR, Pharmacogenetics of the cytochromes P450 and relevance to drug metabolism, Cytochromes P450 drug metabolism within the brain, Mammalian cytochrome P450 biodiversity: Physiological importance, function, and protein and genomic structures of cytochromes P4502B in multiple species of woodrats with different dietary preferences, and more. Additional section cover Atypical kinetics of cytochrome P450 enzymes in drug metabolism, Biosynthesis using cytochrome P450 Enzymes: focus on synthesis of drug metabolites, Use of engineered cytochrome P450s for accelerating drug discovery and development, Assessing cytochrome P450 function using genetically engineered mouse models, Use of the biologicals with sustainable reproducibility for phenotyping study of cytochrome P450 enzymes involved in the biotransformation of test compounds and calculating the fraction unbound parameter, for anticipating drug Interactions, and much more. Research on many forms of P450s has been extended into different fields, from molecules to in vivo situations because pharmacologists and toxicologists appreciate and are attracted to the potential therapeutics. The purpose of this volume is to collect a comprehensive description of major progress to date, to discuss possible future directions, and to invite young researchers to join this important and exciting world of P450.

Present Knowledge in Food Safety: A Risk-Based Approach Through the Food Chain presents approaches for exposure-led risk assessment and the management of changes in the chemical, pathogenic microbiological and physical (radioactivity) contamination of 'food' at all key stages of production, from farm to consumption. This single volume resource introduces scientific advances at all stages of the production to improve reliability, predictability and relevance of food safety assessments for the protection of public health. This book is aimed at a diverse audience, including graduate and post-graduate students in food science, toxicology, microbiology, medicine, public health, and related fields. The book's reach also includes government agencies, industrial scientists, and policymakers involved in food risk analysis.

Quality, second edition, provides comprehensive application of regulatory guidelines and quality concepts and methodologies related to pharmaceutical manufacturing. It is an excellent resource for practitioners, those pursuing pharmaceutical related certifications, and for students trying to learn more about pharmaceutical manufacturing. This book provides the background theory, applied descriptions of the guidelines and concepts, plus questions and problems at the end of the chapters that will help provide practice for the reader to apply the concepts. In this book the authors share their combined 60+ years of extensive practical experience in the industry and in process improvement combined with detailed understanding of the needs of the industry and education system. This book provides real-life examples from industry and guidelines for practical application of tools that can be referenced by operators, engineers, and management. This book is fully revised, updated, and expanded with new content in areas such as QbD, Lean, Six Sigma, basic data analysis, and CAPA tools.

Combination Drug Delivery Approach as an Effective Therapy for Various Diseases explores the use of bioengineering tools in combination drug delivery approaches to control various diseases at different clinical stages of synergistic action, varying mechanisms of action, and during the suppression of drug resistance. The book presents fundamental knowledge on the experiential and experimental aspects of drug combination approaches in order to equip rational applications in preventing the emergence of resistance during the treatment of various diseases. It provides a holistic understanding of the principles behind formation, characterization, applications, regulations, toxicity, challenges and future perspectives of combination drug delivery approaches. It will be of interest to researchers and advanced graduate students in pharmaceutical science, chemistry, biology and medicine, as well as pharmaceutical companies and scientific organizations.

Evidence-Based Validation of Herbal Medicines: Translational Research on Botanicals brings together current thinking and practice in the characterization and validation of natural products. The book describes different approaches and techniques for evaluating the quality, safety and efficacy of herbal medicine, particularly methods to assess their activity and understand compounds responsible and their probable underlying mechanisms of action. This book brings together the views, expertise and experiences of scientific experts in the field of medicinal plant research, hence it will be useful for researcher who want to know more about the natural lead with their validation and also useful to exploit traditional medicines.

Progress in Medicinal Chemistry, Volume 61 provides a review of eclectic developments in medicinal chemistry, with each chapter written by an international board of authors.

New Targets for the Treatment of Hypertension and Associated Diseases, Volume 94 in the Advances in Pharmacology serial, highlights new advances in the field, with this new volume presenting interesting chapters on Cytochrome P450, 20-hydroxyeicosatetraenoic acid and GPR75 pathway in hypertension, Treatment of hypertension with soluble epoxide hydrolase inhibitors, Effects of allosteric modifiers of adenosine receptors in the heart, Orally active epoxyeicosatrienoic acid analogs in hypertension and renal injury, Drugs affecting the nitric oxide- cyclic GMP pathway in hypertension, Relaxin-2 and Serelaxin in renal and cardiac dysfunction in hypertension, and more.

Fundamentals of Nanotoxicology: Concepts and Applications provides an outline to fundamental concepts of nanotoxicology and their applications. The book opens historical oversights on nanotechnology, terminology, comparison of nanomaterial sizes, and an overview of regulations. It then goes on to cover types, classifications, sources and properties. It also delves into mechanisms of toxicity as well as health and safety assessments. Biomedical, agricultural, and food applications are explored, and ecotoxicology and the environmental impact on nanomaterials rounds out the book's overview of this topic. This book will be a helpful resource for understanding concepts and current knowledge to academics, advanced students, and researchers interested in entering or learning more about this interdisciplinary field of study.