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Design and Evaluation of Anti-SARS-Coronavirus Agents Based on Molecular Interactions with the Viral Protease
Kenichi Akaji1, Hiroyuki Konno2
1Department of Medicinal Chemistry, Kyoto Pharmaceutical University, Yamashina, Kyoto 607-8414, Japan; Hamari Chemicals, Ltd., Suminoe-ku, Osaka, 559-0034, Japan.
Insights
Developing inhibitors for the 3C-like protease (3CLpro) of coronaviruses (CoVs) is crucial for treating SARS, MERS, and COVID-19. This review focuses on SARS-CoV 3CLpro inhibitors, aiding future drug design for novel coronaviruses.
Area of Science:
- Virology
- Drug Discovery
- Structural Biology
Background:
- Three novel coronaviruses (CoVs) cause severe respiratory illnesses: SARS, MERS, and COVID-19.
- No vaccines or therapeutics currently exist, highlighting an urgent need for effective treatments.
- The 3C-like protease (3CLpro) is essential for CoV replication, making it a prime drug target.
Purpose of the Study:
- To review studies on SARS-CoV 3CLpro inhibitors.
- To explore structure-based inhibitor design strategies.
- To provide insights for developing novel coronavirus therapeutics.
Main Methods:
- Review of existing research on SARS-CoV 3CLpro inhibitors.
- Analysis of molecular interactions between inhibitors and the SARS-CoV 3CLpro.
- Structure-based rational design of novel inhibitor scaffolds.
Main Results:
- A series of SARS-CoV 3CLpro inhibitors have been developed.
- Molecular interactions guide the design of potent inhibitors.
- Novel scaffolds show promise for SARS-CoV 3CLpro inhibition.
Conclusions:
- Inhibitors targeting the SARS-CoV 3CLpro are viable therapeutic candidates.
- Structure-based design is effective for developing novel antiviral agents.
- This research contributes to the development of broad-spectrum coronavirus inhibitors.
Abstract:
Three types of new coronaviruses (CoVs) have been identified recently as the causative viruses for the severe pneumonia-like respiratory illnesses, severe acute respiratory syndrome (SARS), Middle East respiratory syndrome (MERS), and corona-virus disease 2019 (COVID-19). Neither therapeutic agents nor vaccines have been developed to date, which is a major drawback in controlling the present global pandemic of COVID-19 caused by SARS coronavirus 2 (SARS-CoV-2) and has resulted in more than 20,439,814 cases and 744,385 deaths. Each of the 3C-like (3CL) proteases of the three CoVs is essential for the proliferation of the CoVs, and an inhibitor of the 3CL protease (3CLpro) is thought to be an ideal therapeutic agent against SARS, MERS, or COVID-19. Among these, SARS-CoV is the first corona-virus isolated and has been studied in detail since the first pandemic in 2003. This article briefly reviews a series of studies on SARS-CoV, focusing on the development of inhibitors for the SARS-CoV 3CLpro based on molecular interactions with the 3CL protease. Our recent approach, based on the structure-based rational design of a novel scaffold for SARS-CoV 3CLpro inhibitor, is also included. The achievements summarized in this short review would be useful for the design of a variety of novel inhibitors for corona-viruses, including SARS-CoV-2.
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