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ACS Applied Electronic Materials

ACS Applied Electronic Materials

IF: 4.3
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Natural Phytochemicals, Luteolin and Isoginkgetin, Inhibit 3C Protease and Infection of FMDV, In Silico and In Vitro

Published:21 October 2021 DOI: 10.3390/v13112118 PMID: 34834926
Sirin Theerawatanasirikul,?Nattarat Thangthamniyom,?Chih-Jung Kuo,?Ploypailin Semkum,?Nantawan Phecharat,?Penpitcha Chankeeree,?Porntippa Lekcharoensuk

Abstract

Foot-and-mouth-disease virus (FMDV) is a picornavirus that causes a highly contagious disease of cloven-hoofed animals resulting in economic losses worldwide. The 3C protease (3Cpro) is the main protease essential in the picornavirus life cycle, which is an attractive antiviral target. Here, we used computer-aided virtual screening to filter potential anti-FMDV agents from the natural phytochemical compound libraries. The top 23 filtered compounds were examined for anti-FMDV activities by a cell-based assay, two of which possessed antiviral effects. In the viral and post-viral entry experiments, luteolin and isoginkgetin could significantly block FMDV growth with low 50% effective concentrations (EC50). Moreover, these flavonoids could reduce the viral load as determined by RT-qPCR. However, their prophylactic activities were less effective. Both the cell-based and the fluorescence resonance energy transfer (FRET)-based protease assays confirmed that isoginkgetin was a potent FMDV 3Cpro inhibitor with a 50% inhibition concentration (IC50) of 39.03 ± 0.05 and 65.3 ± 1.7 μM, respectively, whereas luteolin was less effective. Analyses of the protein-ligand interactions revealed that both compounds fit in the substrate-binding pocket and reacted to the key enzymatic residues of the 3Cpro. Our findings suggested that luteolin and isoginkgetin are promising antiviral agents for FMDV and other picornaviruses.

Substances (5)

Materials Related products
Procduct Name CAS Molecular Formula Supplier Price
Isoginkgetin 548-19-6 C32H22O10 172 suppliers $30.00-$1397.00
Isoginkgetin 548-19-6 C32H22O10 172 suppliers $30.00-$1397.00
Isoginkgetin 548-19-6 C32H22O10 172 suppliers $30.00-$1397.00
Isoginkgetin 548-19-6 C32H22O10 172 suppliers $30.00-$1397.00

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