Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants.
J Pharm Anal
; 10(4): 313-319, 2020 Aug.
Article
in English
| MEDLINE | ID: covidwho-1026252
ABSTRACT
The recent pandemic of coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 has raised global health concerns. The viral 3-chymotrypsin-like cysteine protease (3CLpro) enzyme controls coronavirus replication and is essential for its life cycle. 3CLpro is a proven drug discovery target in the case of severe acute respiratory syndrome coronavirus (SARS-CoV) and Middle East respiratory syndrome coronavirus (MERS-CoV). Recent studies revealed that the genome sequence of SARS-CoV-2 is very similar to that of SARS-CoV. Therefore, herein, we analysed the 3CLpro sequence, constructed its 3D homology model, and screened it against a medicinal plant library containing 32,297 potential anti-viral phytochemicals/traditional Chinese medicinal compounds. Our analyses revealed that the top nine hits might serve as potential anti- SARS-CoV-2 lead molecules for further optimisation and drug development process to combat COVID-19.
Full text:
Available
Collection:
International databases
Database:
MEDLINE
Type of study:
Observational study
Topics:
Traditional medicine
Language:
English
Journal:
J Pharm Anal
Year:
2020
Document Type:
Article
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