Flavonoids with inhibitory activity against SARS-CoV-2 3CLpro
- 주제(키워드) SARS-CoV 3CL protease , antiviral , flavonoid , FRET , inhibitory compounds
- 주제(기타) Biochemistry & Molecular Biology
- 주제(기타) Chemistry, Medicinal
- 설명문(일반) [Jo, Seri; Kim, Suwon; Kim, Mi-Sun; Shin, Dong Hae] Ewha W Univ, Graduates Sch Pharmaceut Sci, Coll Pharm, Seoul, South Korea; [Kim, Dae Yong] N BIOTEK, Bucheon Si, Gyeong Gi, South Korea
- 등재 SCIE, SCOPUS
- OA유형 Green Submitted, gold, Green Published
- 발행기관 TAYLOR & FRANCIS LTD
- 발행년도 2020
- 총서유형 Journal
- URI http://www.dcollection.net/handler/ewha/000000172400
- 본문언어 영어
- Published As https://dx.doi.org/10.1080/14756366.2020.1801672
- PubMed https://pubmed.ncbi.nlm.nih.gov/32746637
초록/요약
Coronavirus disease 2019 (COVID-19) has been a pandemic disease of which the termination is not yet predictable. Currently, researches to develop vaccines and treatments is going on globally to cope with this disastrous disease. Main protease (3CLpro) from severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is one of the good targets to find antiviral agents before vaccines are available. Some flavonoids are known to inhibit 3CLpro from SARS-CoV which causes SARS. Since their sequence identity is 96%, a similar approach was performed with a flavonoid library. Baicalin, herbacetin, and pectolinarin have been discovered to block the proteolytic activity of SARS-CoV-2 3CLpro. Anin silicodocking study showed that the binding modes of herbacetin and pectolinarin are similar to those obtained from the catalytic domain of SARS-CoV 3CLpro. However, their binding affinities are different due to the usage of whole SARS-CoV-2 3CLpro in this study. Baicalin showed an effective inhibitory activity against SARS-CoV-2 3CLpro and its docking mode is different from those of herbacetin and pectolinarin. This study suggests important scaffolds to design 3CLpro inhibitors to develop antiviral agents or health-foods and dietary supplements to cope with SARS-CoV-2.
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