In Silico Modeling Of Drugs Against Coronaviruses

Author : Kunal Roy
Publisher : Unknown
Page : 788 pages
File Size : 43,5 Mb
Release : 2021
Category : Coronavirus infections
ISBN : 1071613669

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In Silico Modeling of Drugs Against Coronaviruses by Kunal Roy Pdf

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 : Chukwuebuka Egbuna
Publisher : Elsevier
Page : 408 pages
File Size : 45,9 Mb
Release : 2022-07-06
Category : Medical
ISBN : 9780323955799

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Coronavirus Drug Discovery by Chukwuebuka Egbuna Pdf

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

Author : Sandhya Kortagere
Publisher : Humana Press
Page : 0 pages
File Size : 42,9 Mb
Release : 2013-04-09
Category : Medical
ISBN : 1627033416

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In Silico Models for Drug Discovery by Sandhya Kortagere Pdf

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.

Author : Simone Brogi,Teodorico Castro Ramalho,José L. Medina-Franco,Kamil Kuca,Marian Valko
Publisher : Frontiers Media SA
Page : 504 pages
File Size : 45,8 Mb
Release : 2020-10-09
Category : Science
ISBN : 9782889660575

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In Silico Methods for Drug Design and Discovery by Simone Brogi,Teodorico Castro Ramalho,José L. Medina-Franco,Kamil Kuca,Marian Valko Pdf

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 : Tomasz Puzyn,Jerzy Leszczynski,Mark T. Cronin
Publisher : Springer Science & Business Media
Page : 428 pages
File Size : 50,7 Mb
Release : 2010-01-19
Category : Science
ISBN : 9781402097836

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Recent Advances in QSAR Studies by Tomasz Puzyn,Jerzy Leszczynski,Mark T. Cronin Pdf

This book presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part consists of a comprehensive review of QSAR methodology. The second part highlights the interdisciplinary aspects and new areas of QSAR modelling.

Author : Dirk Husmeier,Richard Dybowski,Stephen Roberts
Publisher : Springer Science & Business Media
Page : 511 pages
File Size : 41,5 Mb
Release : 2006-05-06
Category : Computers
ISBN : 9781846281198

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Probabilistic Modeling in Bioinformatics and Medical Informatics by Dirk Husmeier,Richard Dybowski,Stephen Roberts Pdf

Probabilistic Modelling in Bioinformatics and Medical Informatics has been written for researchers and students in statistics, machine learning, and the biological sciences. The first part of this book provides a self-contained introduction to the methodology of Bayesian networks. The following parts demonstrate how these methods are applied in bioinformatics and medical informatics. All three fields - the methodology of probabilistic modeling, bioinformatics, and medical informatics - are evolving very quickly. The text should therefore be seen as an introduction, offering both elementary tutorials as well as more advanced applications and case studies.

Author : Y-h. Taguchi
Publisher : Springer Nature
Page : 321 pages
File Size : 51,7 Mb
Release : 2019-08-23
Category : Technology & Engineering
ISBN : 9783030224561

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Unsupervised Feature Extraction Applied to Bioinformatics by Y-h. Taguchi Pdf

This book proposes applications of tensor decomposition to unsupervised feature extraction and feature selection. The author posits that although supervised methods including deep learning have become popular, unsupervised methods have their own advantages. He argues that this is the case because unsupervised methods are easy to learn since tensor decomposition is a conventional linear methodology. This book starts from very basic linear algebra and reaches the cutting edge methodologies applied to difficult situations when there are many features (variables) while only small number of samples are available. The author includes advanced descriptions about tensor decomposition including Tucker decomposition using high order singular value decomposition as well as higher order orthogonal iteration, and train tenor decomposition. The author concludes by showing unsupervised methods and their application to a wide range of topics. Allows readers to analyze data sets with small samples and many features; Provides a fast algorithm, based upon linear algebra, to analyze big data; Includes several applications to multi-view data analyses, with a focus on bioinformatics.

Author : Satya Prakash Gupta
Publisher : Academic Press
Page : 516 pages
File Size : 46,7 Mb
Release : 2017-07-03
Category : Science
ISBN : 9780128096826

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Viral Proteases and Their Inhibitors by Satya Prakash Gupta Pdf

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

Author : Utku Kose,Deepak Gupta,Victor Hugo Costa de Albuquerque,Ashish Khanna
Publisher : Academic Press
Page : 754 pages
File Size : 40,8 Mb
Release : 2021-05-20
Category : Science
ISBN : 9780128245378

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Data Science for COVID-19 Volume 1 by Utku Kose,Deepak Gupta,Victor Hugo Costa de Albuquerque,Ashish Khanna Pdf

Data Science for COVID-19 presents leading-edge research on data science techniques for the detection, mitigation, treatment and elimination of COVID-19. Sections provide an introduction to data science for COVID-19 research, considering past and future pandemics, as well as related Coronavirus variations. Other chapters cover a wide range of Data Science applications concerning COVID-19 research, including Image Analysis and Data Processing, Geoprocessing and tracking, Predictive Systems, Design Cognition, mobile technology, and telemedicine solutions. The book then covers Artificial Intelligence-based solutions, innovative treatment methods, and public safety. Finally, readers will learn about applications of Big Data and new data models for mitigation. Provides a leading-edge survey of Data Science techniques and methods for research, mitigation and treatment of the COVID-19 virus Integrates various Data Science techniques to provide a resource for COVID-19 researchers and clinicians around the world, including both positive and negative research findings Provides insights into innovative data-oriented modeling and predictive techniques from COVID-19 researchers Includes real-world feedback and user experiences from physicians and medical staff from around the world on the effectiveness of applied Data Science solutions

Author : Lawrence C. Kuo,Jules A. Shafer
Publisher : Gulf Professional Publishing
Page : 494 pages
File Size : 41,5 Mb
Release : 1994-09-22
Category : Medical
ISBN : 0121821420

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Retroviral Proteases by Lawrence C. Kuo,Jules A. Shafer Pdf

Methods included in this volume apply to the expression and characterization of retroviral proteases and their inhibitor/substrate design.

Author : Jenny Gu,Philip E. Bourne
Publisher : John Wiley & Sons
Page : 1105 pages
File Size : 55,6 Mb
Release : 2011-09-20
Category : Science
ISBN : 9781118210567

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Structural Bioinformatics by Jenny Gu,Philip E. Bourne Pdf

Structural Bioinformatics was the first major effort to show the application of the principles and basic knowledge of the larger field of bioinformatics to questions focusing on macromolecular structure, such as the prediction of protein structure and how proteins carry out cellular functions, and how the application of bioinformatics to these life science issues can improve healthcare by accelerating drug discovery and development. Designed primarily as a reference, the first edition nevertheless saw widespread use as a textbook in graduate and undergraduate university courses dealing with the theories and associated algorithms, resources, and tools used in the analysis, prediction, and theoretical underpinnings of DNA, RNA, and proteins. This new edition contains not only thorough updates of the advances in structural bioinformatics since publication of the first edition, but also features eleven new chapters dealing with frontier areas of high scientific impact, including: sampling and search techniques; use of mass spectrometry; genome functional annotation; and much more. Offering detailed coverage for practitioners while remaining accessible to the novice, Structural Bioinformatics, Second Edition is a valuable resource and an excellent textbook for a range of readers in the bioinformatics and advanced biology fields. Praise for the previous edition: "This book is a gold mine of fundamental and practical information in an area not previously well represented in book form." —Biochemistry and Molecular Education "... destined to become a classic reference work for workers at all levels in structural bioinformatics...recommended with great enthusiasm for educators, researchers, and graduate students." —BAMBED "...a useful and timely summary of a rapidly expanding field." —Nature Structural Biology "...a terrific job in this timely creation of a compilation of articles that appropriately addresses this issue." —Briefings in Bioinformatics

Author : Filippo Drago,Rafael Maldonado
Publisher : Frontiers Media SA
Page : 588 pages
File Size : 52,8 Mb
Release : 2021-10-14
Category : Science
ISBN : 9782889714858

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Drug Repurposing for COVID-19 Therapy by Filippo Drago,Rafael Maldonado Pdf

Author : Carsten Ehrhardt,Kwang-Jin Kim
Publisher : Springer Science & Business Media
Page : 696 pages
File Size : 42,6 Mb
Release : 2007-12-22
Category : Medical
ISBN : 9780387749013

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Drug Absorption Studies by Carsten Ehrhardt,Kwang-Jin Kim Pdf

This is a well thought-out, highly practical text covering contemporary ‘in vitro’ techniques for drug absorption studies. Starting at the molecular level of investigation, it continues with cell monolayer models (both primary and cell lines) and culminates with in situ techniques as a final testing format. In addition, chapters on high-throughput assays, in vitro-in vivo correlation, bioinformatics and regulatory issues are covered, giving a comprehensive overview of available models and techniques. Moreover, an appendix consisting of a number of practical protocols is available online, updated as needed, and should prove very helpful to apply the techniques directly to the benchside.

Author : Oceanside Oceanside Press
Publisher : Unknown
Page : 42 pages
File Size : 48,8 Mb
Release : 2017-07-27
Category : Electronic
ISBN : 1973984873

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Inhibition of Epstein-Barr Virus Reactivation by the Flavonoid Apigenin by Oceanside Oceanside Press Pdf

Lytic reactivation of EBV has been reported to play an important role in human diseases, including NPC carcinogenesis. Inhibition of EBV reactivation is considered to be of great benefit in the treatment of virus-associated diseases. For this purpose, we screened for inhibitory compounds and found that apigenin, a flavonoid, seemed to have the ability to inhibit EBV reactivation. Proceeds from the sale of this book go to support an elderly disabled person.

Author : Luis Enjuanes
Publisher : Springer Science & Business Media
Page : 278 pages
File Size : 52,9 Mb
Release : 2004-10-05
Category : Medical
ISBN : 3540214941

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Coronavirus Replication and Reverse Genetics by Luis Enjuanes Pdf

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.