In Silico Modeling Of Drugs Against Coronaviruses
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In Silico Modeling Of Drugs Against Coronaviruses
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Author : Kunal Roy
language : en
Publisher:
Release Date : 2021
In Silico Modeling Of Drugs Against Coronaviruses written by Kunal Roy and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021 with Coronavirus infections categories.
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.
In Silico Models For Drug Discovery
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Author : Sandhya Kortagere
language : en
Publisher: Humana Press
Release Date : 2016-08-23
In Silico Models For Drug Discovery written by Sandhya Kortagere and has been published by Humana Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-08-23 with Medical categories.
Infectious diseases caused by viruses, parasites, bacteria, and fungi are the number one cause of death worldwide. Although new technologies have improved diagnosis of infectious diseases, the efficacy of all known current anti-infective agents is threatened by the spread of drug-resistant forms of the pathogens. Hence, there remains an urgent need to develop anti-infective agents that target drug-resistant pathogens. In Silico Models for Drug Discovery presents a comprehensive look at the role in silico models play in understanding infectious diseases and in developing novel therapeutics to treat them. Written by leading experts in the field, chapters cover topics such as techniques to derive novel antimicrobial targets, methods of interpreting polypharmacology-based drug target networks, and molecular dynamics techniques used to compute binding energies of drugs to their target proteins, to name a few. Written in the successful Methods in Molecular BiologyTM series or in review article format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols, and notes on troubleshooting and avoiding known pitfalls. Authoritative and easily accessible, In Silico Models for Drug Discovery seeks to serve both professionals and novices involved in the study and treatment of infectious diseases.
Coronavirus Drug Discovery
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Author : Chukwuebuka Egbuna
language : en
Publisher: Elsevier
Release Date : 2022-07-06
Coronavirus Drug Discovery written by Chukwuebuka Egbuna and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-07-06 with Medical categories.
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. Discusses the pathogenic mechanisms of SARS-CoV-2 and druggable targets Reviews the various signaling pathways associated with SAR-CoV-2 as possible druggable targets Presents computational approaches and in silico studies against SARS-CoV-2
Key Heterocycle Cores For Designing Multitargeting Molecules
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Author : Om Silakari
language : en
Publisher: Elsevier
Release Date : 2018-06-11
Key Heterocycle Cores For Designing Multitargeting Molecules written by Om Silakari and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-06-11 with Science categories.
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
Big Data Analytics And Artificial Intelligence Against Covid 19 Innovation Vision And Approach
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Author : Aboul-Ella Hassanien
language : en
Publisher: Springer
Release Date : 2020-10-13
Big Data Analytics And Artificial Intelligence Against Covid 19 Innovation Vision And Approach written by Aboul-Ella Hassanien and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-13 with Computers categories.
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.
Coronavirus Replication And Reverse Genetics
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Author : Luis Enjuanes
language : en
Publisher: Springer Science & Business Media
Release Date : 2005-10-25
Coronavirus Replication And Reverse Genetics written by Luis Enjuanes and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-10-25 with Medical categories.
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.
In Silico Methods For Drug Design And Discovery
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Author : Simone Brogi
language : en
Publisher: Frontiers Media SA
Release Date : 2020-10-09
In Silico Methods For Drug Design And Discovery written by Simone Brogi and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-09 with Science categories.
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.
Data Science For Covid 19 Volume 1
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Author : Utku Kose
language : en
Publisher: Elsevier
Release Date : 2021-05-25
Data Science For Covid 19 Volume 1 written by Utku Kose and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-05-25 with Science categories.
On top of title page: "Biomedical engineering."
The Fragment Molecular Orbital Method
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Author : Dmitri Fedorov
language : en
Publisher: CRC Press
Release Date : 2009-05-14
The Fragment Molecular Orbital Method written by Dmitri Fedorov and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-05-14 with Science categories.
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
Viral Proteases And Their Inhibitors
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Author : Satya Prakash Gupta
language : en
Publisher: Academic Press
Release Date : 2017-07-03
Viral Proteases And Their Inhibitors written by Satya Prakash Gupta and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-07-03 with Science categories.
Viral Proteases and Their Inhibitors provides a thorough examination of viral proteases from their molecular components, to therapeutic applications. As information on three dimensional structures and biological functions of these viral proteases become known, unexpected protein folds and unique mechanisms of proteolysis are realized. This book investigates how this facilitates the design and development of potent antiviral agents used against life-threatening viruses. Users will find descriptions of each virus that detail the structure and function of viral proteases, discuss the design and development of inhibitors, and analyze the structure-activity relationships of inhibitors. This book is ideal biochemists, virologists and those working on antiviral agents. Provides comprehensive, state-of-the-art coverage of virus infections, the virus lifecycle, and mechanisms of protease inhibition Analyzes structure-activity relationships of inhibitors of each viral protease Presents an in-depth view of the structure and function of viral proteases