Related Experiment Video
Updated: May 5, 2026
12:02
Assays for the Identification of Novel Antivirals against Bluetongue Virus
Published on: October 11, 2013
14.1K
Rapid Structure-Based Screening Informs Potential Agents for Coronavirus Disease (COVID-19) Outbreak
Zhi-Wei Yang1,2, Yi-Zhen Zhao1, Yong-Jian Zang1
1MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, School of Science, Xi'an Jiaotong University, Xi'an 710049.
Chinese Physics Letters
|April 15, 2024
Summary
This study screened existing drugs for COVID-19 treatment. Arbidol, Chloroquine, and Remdesivir show potential by inhibiting viral entry and release.
Area of Science:
- Virology
- Drug Discovery
- Computational Chemistry
Background:
- The rapid global spread of Coronavirus Disease 2019 (COVID-19) necessitates the urgent development of effective antiviral agents.
- Identifying existing drugs with potential therapeutic benefits can accelerate treatment strategies.
Purpose of the Study:
- To conduct a structure-based virtual screening of commercially available drugs against key proteins of the novel coronavirus.
- To identify potential drug candidates for the prevention and treatment of COVID-19.
Main Methods:
- Structure-based virtual screening was employed.
- Evaluated drug interactions with human angiotensin converting enzyme II (ACE2) and viral proteins (main protease, spike, envelope, membrane, nucleocapsid).
Main Results:
- Arbidol, Chloroquine, and Remdesivir demonstrated potential to inhibit viral entry and release by binding to ACE2, spike, and envelope proteins.
- NHC (β-d-N4-hydroxycytidine) and Triazavirin showed promise due to similar binding patterns.
- Screening against the main protease (3CLpro) identified Mitoguazone, Metformin, Biguanide Hydrochloride, Gallic acid, Caffeic acid, Sulfaguanidine, and Acetylcysteine as potential inhibitors.
Conclusions:
- Several existing drugs and compounds show potential for COVID-19 treatment by targeting viral entry/release or the main protease.
- Further clinical investigation of these identified agents is warranted for COVID-19 therapy.
