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Published on: November 5, 2021
Potential Therapeutic Agents and Associated Bioassay Data for COVID-19 and Related Human Coronavirus Infections
Qiongqiong Angela Zhou1, Junko Kato-Weinstein1, Yingzhu Li1
1CAS, a division of the American Chemical Society, 2540 Olentangy River Road, Columbus, Ohio 43210-3012, United States.
Abstract:
The COVID-19 pandemic, caused by the novel coronavirus SARS-CoV-2, has led to several million confirmed cases and hundreds of thousands of deaths worldwide. To support the ongoing research and development of COVID-19 therapeutics, this report provides an overview of protein targets and corresponding potential drug candidates with bioassay and structure-activity relationship data found in the scientific literature and patents for COVID-19 or related virus infections. Highlighted are several sets of small molecules and biologics that act on specific targets, including 3CLpro, PLpro, RdRp, S-protein-ACE2 interaction, helicase/NTPase, TMPRSS2, and furin, which are involved in the viral life cycle or in other aspects of the disease pathophysiology. We hope this report will be valuable to the ongoing drug repurposing efforts and the discovery of new therapeutics with the potential for treating COVID-19.
Insights
This report overviews COVID-19 drug targets and candidates, including small molecules and biologics, to aid therapeutic development. It details protein targets like 3CLpro and RdRp, crucial for combating SARS-CoV-2.
Area of Science:
- Virology
- Drug Discovery
- Biochemistry
Background:
- The COVID-19 pandemic, caused by SARS-CoV-2, has resulted in a global health crisis.
- Effective therapeutics are crucial for managing the pandemic and treating infected individuals.
Purpose of the Study:
- To compile and review protein targets and potential drug candidates for COVID-19 therapeutics.
- To support ongoing drug repurposing and discovery efforts by summarizing existing data.
Main Methods:
- Literature and patent review of scientific data on COVID-19 and related viral infections.
- Identification of key viral protein targets involved in the SARS-CoV-2 life cycle.
- Cataloging of small molecules and biologics with associated bioassay and structure-activity relationship data.
Main Results:
- Several sets of small molecules and biologics targeting specific proteins were identified.
- Key targets include 3CLpro, PLpro, RdRp, S-protein-ACE2 interaction, helicase/NTPase, TMPRSS2, and furin.
- Data on bioactivity and structure-activity relationships for potential drug candidates were compiled.
Conclusions:
- The identified targets and drug candidates offer potential avenues for COVID-19 treatment.
- This compilation serves as a valuable resource for accelerating the development of new and repurposed therapeutics.
- Further research and development are essential to translate these findings into clinical applications.
