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Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
Published on: September 26, 2025
Web resources facilitate drug discovery in treatment of COVID-19
Long-Can Mei1, Yin Jin2, Zheng Wang2
1Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, China; International Joint Research Center for Intelligent Biosensor Technology and Health, Central China Normal University, Wuhan 430079, China.
Abstract:
The infectious disease Coronavirus 2019 (COVID-19) continues to cause a global pandemic and, thus, the need for effective therapeutics remains urgent. Global research targeting COVID-19 treatments has produced numerous therapy-related data and established data repositories. However, these data are disseminated throughout the literature and web resources, which could lead to a reduction in the levels of their use. In this review, we introduce resource repositories for the development of COVID-19 therapeutics, from the genome and proteome to antiviral drugs, vaccines, and monoclonal antibodies. We briefly describe the data and usage, and how they advance research for therapies. Finally, we discuss the opportunities and challenges to preventing the pandemic from developing further.
Insights
This review highlights essential data repositories for developing Coronavirus 2019 (COVID-19) therapeutics, covering genomics, proteomics, antivirals, vaccines, and monoclonal antibodies to accelerate research and combat the pandemic.
Area of Science:
- Virology
- Immunology
- Genomics
- Drug Discovery
Background:
- The Coronavirus 2019 (COVID-19) pandemic necessitates urgent development of effective therapeutics.
- Extensive research has generated vast amounts of COVID-19 treatment data, but it is fragmented across various resources.
- This fragmentation hinders the optimal utilization of available data for therapeutic development.
Purpose of the Study:
- To review and introduce key data repositories crucial for advancing COVID-19 therapeutic development.
- To provide an overview of the data types and their applications in accelerating research.
- To discuss the future opportunities and challenges in pandemic prevention and treatment.
Main Methods:
- Literature review of scientific publications and web resources.
- Identification and categorization of data repositories related to COVID-19 therapeutics.
- Analysis of data content, accessibility, and utility for research advancement.
Main Results:
- Introduction of comprehensive resource repositories spanning genome, proteome, antiviral drugs, vaccines, and monoclonal antibodies.
- Description of the data available within these repositories and their specific applications.
- Demonstration of how these resources facilitate and expedite research for novel COVID-19 therapies.
Conclusions:
- Centralized and accessible data repositories are vital for efficient COVID-19 therapeutic development.
- Leveraging these resources can significantly accelerate the discovery and deployment of treatments.
- Addressing challenges in data sharing and integration is key to overcoming the pandemic.
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