Coronavirus Drug Discovery: Volume 3: Druggable Targets and In Silico Update

Coronavirus Drug Discovery, Volume Three: Druggable Targets and In Silico Update provides comprehensive information on drug discovery against COVID-19, written by a global team of experts and useful to drug developers, medicinal chemists, pharmaceutical companies, research institutes, and agencies involved in the field.

Format: Paperback / softback
Length: 406 pages
Publication date: 12 July 2022
Publisher: Elsevier - Health Sciences Division

Coronavirus Drug Discovery, Volume Three: Druggable Targets and In Silico Update is a comprehensive resource that provides invaluable insights into the ongoing efforts to develop drugs against the novel coronavirus (COVID-19). This volume is divided into two parts, with Part One focusing on the various druggable targets and associated signaling pathways that can be effectively targeted to combat SARS-CoV-2. In Part Two, chapters delve into the diverse computational approaches and in silico studies employed to combat the virus.

Written by a team of esteemed experts from around the world, this book offers a wealth of knowledge and expertise that will be invaluable 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. Moreover, 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 other stakeholders involved in drug discovery against COVID-19 will find this book to be a valuable resource.

Part One: Druggable Targets and Associated Signaling Pathways

In this section, the authors explore the diverse range of druggable targets present in SARS-CoV-2, the causative agent of COVID-19. They discuss the structural and biochemical characteristics of these targets, as well as the potential signaling pathways involved in their regulation. By understanding these pathways, researchers can develop targeted therapies that disrupt the virus's replication or inhibit its ability to infect cells.

One of the key druggable targets identified in SARS-CoV-2 is the spike protein, which plays a crucial role in the virus's ability to infect cells. The spike protein is responsible for binding to the ACE2 receptor on human cells, facilitating the entry of the virus into the host organism. The authors provide detailed information on the structure and function of the spike protein, as well as the potential therapeutic targets that can be developed to inhibit its activity.

Another important target is the RNA-dependent RNA polymerase (RdRp), which is essential for the viral replication process. The authors discuss the structure and function of RdRp, as well as the potential inhibitors that can be designed to block its activity. These inhibitors could be used to prevent the spread of the virus or to treat infected individuals.

In addition to these targets, the authors also explore the role of other proteins and enzymes involved in SARS-CoV-2 infection, such as the membrane protein, the nucleocapsid protein, and the endoplasmic reticulum stress response protein. They provide insights into the potential signaling pathways that these proteins and enzymes regulate, and discuss the potential therapeutic targets that can be developed to disrupt these pathways.

Part Two: Computational Approaches and In Silico Studies

In this section, the authors discuss the various computational approaches and in silico studies employed to combat SARS-CoV-2. They highlight the importance of computer modeling and simulation in drug discovery, as well as the use of virtual screening and high-throughput screening techniques to identify potential drug candidates.

One of the computational approaches discussed is molecular docking, which involves predicting the three-dimensional structure of a drug candidate and its interactions with a target protein. The authors provide examples of molecular docking studies that have been conducted to identify potential inhibitors of SARS-CoV-2 RdRp and spike protein. They also discuss the limitations of molecular docking and the need for further validation and refinement of these models.

Another computational approach discussed is structure-based drug design, which involves designing drugs based on the three-dimensional structure of a target protein. The authors provide examples of structure-based drug design studies that have been conducted to develop inhibitors of SARS-CoV-2 RdRp and spike protein. They also discuss the challenges associated with structure-based drug design and the need for further optimization and refinement of these approaches.

In addition to computational approaches, the authors also discuss the use of in silico studies to predict the potential toxicities and side effects of drug candidates. They highlight the importance of conducting preclinical studies to evaluate the safety and efficacy of potential drugs before they are subjected to human trials.

Conclusion

Coronavirus Drug Discovery, Volume Three: Druggable Targets and In Silico Update is a comprehensive and authoritative resource that provides valuable insights into the ongoing efforts to develop drugs against COVID-19. By presenting a comprehensive overview of the various druggable targets and associated signaling pathways, as well as the diverse computational approaches and in silico studies employed to combat the virus, this book serves as a valuable tool for drug developers, medicinal chemists, pharmaceutical companies, research institutes, and agencies involved in drug discovery against COVID-19. As the pandemic continues to evolve, it is clear that the development of effective drugs against COVID-19 will be an essential component of the global response to this crisis. This book will undoubtedly play a crucial role in advancing our understanding of the virus and guiding the development of new therapies to combat it.

Weight: 450g
Dimension: 229 x 152 (mm)
ISBN-13: 9780323955782