In Silico Modeling of Drugs Against Coronaviruses PDF Download

Author: Kunal Roy
Publisher:
ISBN: 9781071613665
Category : Coronavirus infections
Languages : en
Pages : 788

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Book Description
This essential volume explores a variety of tools and protocols of structure-based (homology modeling, molecular docking, molecular dynamics, protein-protein interaction network) and ligand-based (pharmacophore mapping, quantitative structure-activity relationships or QSARs) drug design for ranking and prioritization of candidate molecules in search of effective treatment strategy against coronaviruses. Beginning with an introductory section that discusses coronavirus interactions with humanity and COVID-19 in particular, the book then continues with sections on tools and methodologies, literature reports and case studies, as well as online tools and databases that can be used for computational anti-coronavirus drug research. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of practical detail and implementation advice that ensures high quality results in the lab. Comprehensive and timely, In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and Protocols is an ideal reference for researchers working on the development of novel anti-coronavirus drugs for SARS-CoV-2 and for coronaviruses that will likely appear in the future.

Author: Luis Enjuanes
Publisher: Springer Science & Business Media
ISBN: 3540267654
Category : Medical
Languages : en
Pages : 261

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Book Description
Human coronaviruses caused the SARS epidemic that infected more than 8000 people, killing about ten percent of them in 32 countries. This book provides essential information on these viruses and the development of vaccines to control coronavirus infections.

Author: Om Silakari
Publisher: Elsevier
ISBN: 0081021054
Category : Science
Languages : en
Pages : 438

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Book Description
Key Heterocycle Cores for Designing Multitargeting Molecules provides a helpful overview of current developments in the field. Following a detailed introduction to the manipulation of heterocycle cores for the development of dual or multitargeting molecules, the book goes on to describe specific examples of such developments, focusing on compounds such as Benzimidazole, Acridine, Flavones, Thiazolidinedione and Oxazoline. Drawing on the latest developments in the field, this volume provides a valuable guide to current approaches in the design and development of molecules capable of acting on multiple targets. Adapting the heterocyclic core of a single-target molecule can facilitate its development into an agent capable of acting on multiple targets. Such multi-targeting drugs have the potential to become essential components in the design of novel, holistic treatment plans for complex diseases, making the design of such active agents an increasingly important area of research. - Emphasizes the chemical development of heterocyclic nuclei, from single to multitargeting molecules - Provides chapter-by-chapter coverage of the key heterocyclic compounds used in synthesizing multitargeting agents - Outlines current trends and future developments in multitarget molecule design for the treatment of various diseases

Author: Shailendra K. Saxena
Publisher:
ISBN: 9789811548154
Category : Coronavirus infections
Languages : en
Pages :

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Book Description
This book provides a comprehensive overview of recent novel coronavirus (SARS-CoV-2) infection, their biology and associated challenges for their treatment and prevention of novel Coronavirus Disease 2019 (COVID-19). Discussing various aspects of COVID-19 infection, including global epidemiology, genome organization, immunopathogenesis, transmission cycle, diagnosis, treatment, prevention, and control strategies, it highlights host-pathogen interactions, host immune response, and pathogen immune invasion strategies toward developing an immune intervention or preventive vaccine for COVID-19. An understanding of the topics covered in the book is imperative in the context of designing strategies to protect the human race from further losses and harm due to SARS-CoV-2 infection causing COVID-19.

Author: Dmitri Fedorov
Publisher: CRC Press
ISBN: 1420078496
Category : Science
Languages : en
Pages : 304

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Book Description
Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecular Orbital (FMO) method in 1999. Today, the FMO method can be applied to the study of whole proteins and protein-ligand interactions, and is extremely effective in calculating the propertie

Author: Simone Brogi
Publisher: Frontiers Media SA
ISBN: 2889660575
Category : Science
Languages : en
Pages : 504

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Book Description
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.

Author: Farid A. Badria
Publisher: BoD – Books on Demand
ISBN: 1839685204
Category : Medical
Languages : en
Pages : 236

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Book Description
Drug repurposing or drug repositioning is a new approach to presenting new indications for common commercial and clinically approved existing drugs. For example, chloroquine, an old antimalarial drug, showed promising results for treating COVID-19, interfering with MDR in several types of cancer, and chemosensitizing human leukemic cells.This book focuses on the hypothesis, risk/benefits, and economic impacts of drug repurposing on drug discovery in dermatology, infectious diseases, neurological disorders, cancer, and orphan diseases. It brings together up-to-date research to provide readers with an informative, illustrative, and easy-to-read book useful for students, clinicians, and the pharmaceutical industry.

Author: Christophe Chipot
Publisher: Springer Science & Business Media
ISBN: 3540384472
Category : Language Arts & Disciplines
Languages : en
Pages : 528

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Book Description
Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.

Author: Susanne Modrow
Publisher: Springer
ISBN: 9783642207174
Category : Science
Languages : en
Pages : 0

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Book Description
The book gives a comprehensive overview on the knowledge of virus infection relevant for humans and animals. For each virus family the molecular details of the virus particle and the viral replication cycle are described. In the case of virus types with relevance for human and/or animal health the data on molecular biology, genetics and virus-cell interaction are combined with those concerning, pathogenesis, epidemiology, clinics, prevention and therapy.

Author: Aboul-Ella Hassanien
Publisher: Springer
ISBN: 9783030552572
Category : Computers
Languages : en
Pages : 307

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Book Description
This book includes research articles and expository papers on the applications of artificial intelligence and big data analytics to battle the pandemic. In the context of COVID-19, this book focuses on how big data analytic and artificial intelligence help fight COVID-19. The book is divided into four parts. The first part discusses the forecasting and visualization of the COVID-19 data. The second part describes applications of artificial intelligence in the COVID-19 diagnosis of chest X-Ray imaging. The third part discusses the insights of artificial intelligence to stop spread of COVID-19, while the last part presents deep learning and big data analytics which help fight the COVID-19.