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Deprecated: Implicit conversion from float 263.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Molecules 2021 ; 26 (7): ä Nephropedia Template TP
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The Inhibitory Effects of Plant Derivate Polyphenols on the Main Protease of SARS Coronavirus 2 and Their Structure-Activity Relationship #MMPMID33808054
Nguyen TTH; Jung JH; Kim MK; Lim S; Choi JM; Chung B; Kim DW; Kim D
Molecules 2021[Mar]; 26 (7): ä PMID33808054show ga
The main protease (M(pro)) 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(pro) was obtained as a 34.5 kDa protein by overexpression in E. coli BL21 (DE3). The optimal pH and temperature of M(pro) were 7.5 and 37 degrees C, respectively. M(pro) displayed a K(m) value of 16 muM with Dabcyl-KTSAVLQ downward arrowSGFRKME-Edans. Black garlic extract and 49 polyphenols were studied for their inhibitory effects on purified M(pro). The IC(50) values were 137 mug/mL for black garlic extract and 9-197 muM for 15 polyphenols. The mixtures of tannic acid with puerarin, daidzein, and/or myricetin enhanced the inhibitory effects on M(pro). 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(pro).