The Inhibitory Effects of Plant Derivate Polyphenols on the Main Protease of SARS Coronavirus 2 and Their Structure-Activity Relationship

The main protease (M ) is a major protease having an important role in viral replication of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the novel coronavirus that caused the pandemic of 2020. Here, active M was obtained as a 34.5 kDa protein by overexpression in BL21 (DE3). The...

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Bibliographic Details
Published in:Molecules (Basel, Switzerland) Switzerland), 2021-03, Vol.26 (7), p.1924
Main Authors: Nguyen, Thi Thanh Hanh, Jung, Jong-Hyun, Kim, Min-Kyu, Lim, Sangyong, Choi, Jae-Myoung, Chung, Byoungsang, Kim, Do-Won, Kim, Doman
Format: Article
Language:English
Subjects:
Acids
black garlic
Coronavirus 3C Proteases - antagonists & inhibitors
Coronavirus 3C Proteases - genetics
Coronavirus 3C Proteases - metabolism
Coronaviruses
COVID-19
Daidzein
Dimethyl Sulfoxide - pharmacology
Drug Synergism
Flavonoids
Garlic
Garlic - chemistry
Glycosylation
Hydrogen-Ion Concentration
Hydroxyl groups
kinetic
main protease
Plant Extracts - pharmacology
Plants - chemistry
polyphenol
Polyphenols
Polyphenols - chemistry
Polyphenols - pharmacology
Protease
Protease Inhibitors - chemistry
Protease Inhibitors - pharmacology
Proteinase
SARS-CoV-2
Severe acute respiratory syndrome
Severe acute respiratory syndrome coronavirus 2
Structure-Activity Relationship
Tannic acid
Temperature
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Summary:The main protease (M ) is a major protease having an important role in viral replication of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the novel coronavirus that caused the pandemic of 2020. Here, active M was obtained as a 34.5 kDa protein by overexpression in BL21 (DE3). The optimal pH and temperature of M were 7.5 and 37 °C, respectively. M displayed a value of 16 μM with Dabcyl-KTSAVLQ↓SGFRKME-Edans. Black garlic extract and 49 polyphenols were studied for their inhibitory effects on purified M . The IC values were 137 μg/mL for black garlic extract and 9-197 μM for 15 polyphenols. The mixtures of tannic acid with puerarin, daidzein, and/or myricetin enhanced the inhibitory effects on M . The structure-activity relationship of these polyphenols revealed that the hydroxyl group in C3', C4', C5' in the B-ring, C3 in the C-ring, C7 in A-ring, the double bond between C2 and C3 in the C-ring, and glycosylation at C8 in the A-ring contributed to inhibitory effects of flavonoids on M .
ISSN:1420-3049
1420-3049
DOI:10.3390/molecules26071924