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Designing and developing new drugs is an expensive and time-consuming process, and there is a need to discover new tools or approaches that can optimize this process. Applied Computer-Aided Drug Design: Models and Methods compiles information about the main advances in computational tools for discovering new drugs in a simple and accessible language for academic students to early career researchers. The book aims to help readers understand how to discover molecules with therapeutic potential by bringing essential information about the subject into one volume. Key Features · Presents the concepts and evolution of classical techniques, up to the use of modern methods based on computational ch...
This book series brings updated reviews to readers interested in advances in the development of anti-infective drug design and discovery. The scope of the book series covers a range of topics including rational drug design and drug discovery, medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, recent important patents, and structure-activity relationships. Frontiers in Anti-Infective Drug Discovery is a valuable resource for pharmaceutical scientists and post-graduate students seeking updated and critically important information for developing clinical trials and devising research plans in this field. The eighth volume of this series ...
Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The sixth volume of this series features these six different perspectives on the application of computational chemistry in rational drug design: 1. Computer-aided molecular design in computational chemistry 2. The role of ensemble conformational sampling using molecular docking & dynamics in drug discovery 3. Molecular dynamics applied to discover antiviral agents 4. Pharmacophore modeling approach in drug discovery against the tropical infectious disease malaria 5. Advances in computational network pharmacology for Traditional Chinese Medicine (TCM) research 6. Progress in electronic-structure based computational methods: from small molecules to large molecular systems of biological significance
Frontiers in Computational Chemistry (Volume 7) offers a comprehensive overview of the latest advances in molecular modeling techniques for drug discovery and development. This book focuses on key computational approaches such as rational drug design, adsorption studies, quantum mechanical calculations, and molecular interactions in drug development. It provides insights into lead generation, optimization, and the creation of novel chemical entities targeting various biological mechanisms, including inflammation. The chapters explore modern computational tools and their applications, particularly in low and middle-income countries (LMICs). The book is essential for researchers, academics, and professionals in computational chemistry, molecular modeling, and pharmaceutical sciences.Students and researchers.
This book discusses current evidence on human viruses and provides an extensive coverage of newly emerged viruses and current strategies for treatment. Offering a new perspective in view of the re-emergence of Ebola in African countries and Dengue in India and Pakistan, the contents include chapters on emergence, pathogenicity, epidemiology and vaccine uptake. Human Viruses: Diseases, Treatments and Vaccines: The New Insights discusses a range of viruses from the most common such as Influenza and Hepatitis to Zika, Poliomyelitis and Chikungunya among many others. It is authored by a team of experts on viral disease and will be of immense use to virologists, public health experts and clinicians.
This reference summarizes information about pharmaceuticals that can target infectious strains of coronaviruses to neutralize infections. Chapters focus on SARS-CoV-2, drug discovery methods and natural methods to combat the virus, which is a causative agent of COVID-19. Specifically, the book presents 5 chapters written by expert scholar on the following topics: Structure-Based Drug Discovery Approaches Applied to SARS-CoV-2 (the causative agent COVID- 19) Potential Antiviral Medicinal Plants against Novel SARS-CoV-2 Infections Caused by SARS Coronaviruses: Main Characteristics, Targets And Inhibitors Natural Sourced Traditional Indian and Chinese Medicines to Combat COVID- 19 Peptidomimetic and Peptide-Derived Agents Against 3CLpro from Coronaviruses The book contents present both conventional drug design and traditional approaches to discovering relevant drugs in an easy-to-read approach, which is supplemented by bibliographic references. It is intended as a reference for students (pharmacology, pharmacy) and researchers (virology) who are seeking information about antiviral drugs that can be used against coronaviruses.
Viral Infections and Antiviral Therapies provides comprehensive coverage of viral infections and their transmission. Coverage includes antiviral agents, therapeutics, their mechanisms and treatment strategies. The book is organized into four sections, including an introduction to antiviral therapies, viral infections and their transmission, antiviral agents and therapeutics, and a market overview and future developments. The chapters in each section of the book discuss various key topics that are contributed to by an international group of leading experts. - Covers emerging and sexually transmitted viruses, including mode of transmission and pathophysiology of viral infections - Describes antiviral agents and therapeutics for viruses such as rotaviruses, enteroviruses and coronaviruses - Discusses strategies for the delivery of antiviral agents and vaccinations
Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The fifth volume of this series features these six chapters: - Recent Advances and Role of Computational Chemistry in Drug Designing and Development on Viral Diseases - Molecular Modeling Applied to Design of Cysteine Protease Inhibitors – A Powerful Tool for the Identification of Hit Compounds Against Neglected Tropical Diseases - Application of Systems Biology Methods in Understanding the Molecular Mechanism of Signalling Pathways in the Eukaryotic System - Implementation of the Molecular Electrostatic Potential over GPUs: Large Systems as Main Target - Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry - Frontier Molecular Orbital Approach to the Cycloaddition Reactions
Temos o prazer de lançar o primeiro livro internacional do ano de 2022 voltado a área do desenvolvimento, que tem como título Principles and concepts for development in nowadays society, essa obra contém 152 artigos voltados a área multidisciplinar, sendo a mesma pela Seven Publicações Ltda. A Seven Editora, agradece e enaltasse os autores que fizeram parte desse livro. Desejamos uma boa leitura a todos