Synthesis Of Potential Sars Cov 2 Protease Inhibitors
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Oxford Handbook of Infectious Diseases and Microbiology
| Author | : Estée Török |
| Publisher | : Oxford University Press |
| Total Pages | : 914 |
| Release | : 2016-12-06 |
| Genre | : Medical |
| ISBN | : 019105920X |
Fully reviewed and revised for its second edition, the Oxford Handbook of Infectious Diseases and Microbiology maintains its position as the must-have guide to all aspects of infectious diseases and microbiology. Reflecting the current approach to joint postgraduate training programmes, the handbook takes an integrated approach to both subjects. It covers the basic principles of bacteriology and virology, along with specific guidance on individual diseases and conditions, all in the accessible Oxford Handbook style. Now including new topics on important subjects such as microbiology specimen collection, commonly used media, molecular diagnostics, and antimicrobials in pregnancy, as well as incorporating new guidelines from WHO, NICE, and BASHH among others, this handbook ensures that the informaiton you need is accessible, clear, and easy-to-understand. Practical and comprehensive, this handbook includes coverage of National Frameworks and current legislation, together with information on topical issues such as bioterrorism and preventative medicine. Fully reviewed by specialist senior readers, and with useful links to up-to-date clinical information and online resources, this is an important addition to the Oxford Handbook Series.
New Drug Development for Known and Emerging Viruses
| Author | : Helga Rübsamen-Schaeff |
| Publisher | : John Wiley & Sons |
| Total Pages | : 530 |
| Release | : 2021-11-30 |
| Genre | : Medical |
| ISBN | : 3527810706 |
Discusses how to fight Ebola, SARS Corona, and other known or emerging human viruses by building on the successes in antiviral therapy of the past decades Written by leading medicinal chemists from academia and industry, this book discusses the entire field of antiviral drug discovery and development from a medicinal chemistry perspective, focusing on antiviral drugs, targets, and viral disease mechanisms. It provides an outlook on emerging pathogens such as Ebola, Zika, West Nile, Lassa, and includes a chapter on SARS Coronoavirus-2 causing the present pandemic. New Drug Development for Known and Emerging Viruses describes the discovery and development process for antiviral agents for different classes of viruses and targets based on the experiences from the nine human viruses for which approved drugs are on the market (HIV, HCV, Influenza, RSV, HBV, HPV, HCMV, HSV, and VZV). It covers the properties and potential of 20 classes of currently approved antivirals, including combination drugs, and looks at novel antiviral strategies against emerging viruses. Covers the entire field of antiviral drug discovery and development Addresses the need for antiviral drugs to combat major health threats such as Ebola, Zika, West Nile, and SARS Coronavirus-2 Summarizes the successes of the past 15 years in developing ground-breaking medicines against 9 major human viruses, both from the medicinal chemistry and the pharmacological angle Discusses practical and strategic challenges in the drug discovery and development process, including screening technologies, latency, and toxicity issues New Developments in Antiviral Drugs is an important book for medicinal chemists, pharmaceutical chemists, virologists, and epidemiologists, and will be of great interest to those in the ;pharmaceutical industry and public health agencies.
Viral Proteases and Their Inhibitors
| Author | : Satya Prakash Gupta |
| Publisher | : Academic Press |
| Total Pages | : 518 |
| Release | : 2017-07-03 |
| Genre | : Science |
| ISBN | : 0128096829 |
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
Design, Synthesis and Evaluation of Peptidomimetic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 (sars-cov-2) and Middle East Respiratory Syndrome Coronavirus (mers-cov) Proteases
| Author | : Chamandi S. Dampalla Gamachchige |
| Publisher | : |
| Total Pages | : 0 |
| Release | : 2023 |
| Genre | : Electronic dissertations |
| ISBN | : |
SARS-CoV-2 and MERS-CoV president the human coronaviruses and zoonotic coronaviruses due to tremendous repercussions to wellbeing of the world population. Investigational efforts focusing on the disease pathology and viral lifecycle have led to identifying multiple druggable targets of both viruses including 3CL protease, PL protease and RNA dependent RNA polymerase. This dissertation summarizes the research findings related to 3CL protease inhibitors of SARS-CoV-2 and MERS-CoV. A structure-guided design approach was used with the aid of X-ray crystallography of inhibitor-3CL protease complexes. The iterative optimization of potency in enzyme assays and cell-based assays yielded inhibitors with nanomolar potency. Multiple inhibitors were found to be highly potent (IC50 100 nM) against 3CL proteases of SARS-CoV-2 and MERS-CoV. Inhibitors with dramatically improved antiviral activity in cell-based assays (EC50 = 11-13 nM) against SARS-CoV-2 (chapter 5, compounds 5c/d and 11c/d) were developed. Importantly, these inhibitors specifically target viral lifecycle without causing harmful effects on healthy cells as evidenced by having high safety indices (CC50/EC50 1000). Bioisosteric replacement of metabolically vulnerable protons of GC376 with deuterium has led to identification of compound 2 (chapter 1) which showed significantly enhanced survival of SARS-CoV-2 infected K18-hACE2 mice 83 – 100 % compared to 0 % when untreated. Several other drug candidates suitable for conducting further preclinical studies have been identified.
Coronavirus Replication and Reverse Genetics
| Author | : Luis Enjuanes |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 261 |
| Release | : 2005-10-25 |
| Genre | : Medical |
| ISBN | : 3540267654 |
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.
The Fragment Molecular Orbital Method
| Author | : Dmitri Fedorov |
| Publisher | : CRC Press |
| Total Pages | : 304 |
| Release | : 2009-05-14 |
| Genre | : Science |
| ISBN | : 1420078496 |
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
Free Energy Calculations
| Author | : Christophe Chipot |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 528 |
| Release | : 2007-01-08 |
| Genre | : Language Arts & Disciplines |
| ISBN | : 3540384472 |
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.
