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ScienceAsia 49 (2023):ID 477-484 |doi: 10.2306/scienceasia1513-1874.2023.047


Targeting the main protease for COVID-19 treatment: A comprehensive review of computational screening and experimental studies


Kamonpan Sanachaia, Patcharin Wilasluckb,c, Peerapon Deetanyab,c, Kittikhun Wangkanontb,c,*, Thanyada Rungrotmongkold,e,*, Supot Hannongbuaf,*

 
ABSTRACT:     SARS-CoV-2 was the pathogen responsible for triggering the global COVID-19 outbreak in 2020. Encouraging advancements have been made in the research and development of vaccines and antiviral drugs. Noticeably, the coronavirus reproduction process relies heavily on the SARS-CoV-2 Main protease (Mpro), which is essential for viral replication. Therefore, this review presents computational drug discovery and screening methods aiming at identifying repurposed medications and potent new compounds from existing databases to effectively combat COVID19 by targeting Mpro. This review can aid in understanding Mpro inhibitors and their potential usefulness.

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a Department of Biochemistry, Faculty of Science, Khon Kaen University, Khon Kaen 40002 Thailand
b Center of Excellence for Molecular Biology and Genomics of Shrimp, Department of Biochemistry, Chulalongkorn University, Bangkok 10330 Thailand
c Center of Excellence for Molecular Crop, Department of Biochemistry, Chulalongkorn University, Bangkok 10330 Thailand
d Center of Excellence in Structural and Computational Biology, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330 Thailand
e Program in Bioinformatics and Computational Biology, Graduate School, Chulalongkorn University, Bangkok 10330 Thailand
f Center of Excellence in Computational Chemistry (CECC), Department of Chemistry, Chulalongkorn University, Bangkok 10330 Thailand

* Corresponding author, E-mail: kittikhun.w@chula.ac.th, thanyada.r@chula.ac.th, supot.h@chula.ac.th

Received 2 Mar 2023, Accepted 0 0000