In silico and in vitro evaluation of antiviral activity of wogonin against main protease of porcine epidemic diarrhea virus

Jieru Wang; Xiaoyu Zeng; Dongdong Yin; Lei Yin; Xuehuai Shen; Fazhi Xu; Yin Dai; Xiaocheng Pan

doi:10.3389/fcimb.2023.1123650

In silico and in vitro evaluation of antiviral activity of wogonin against main protease of porcine epidemic diarrhea virus

Front Cell Infect Microbiol. 2023 Mar 15:13:1123650. doi: 10.3389/fcimb.2023.1123650. eCollection 2023.

Authors

Jieru Wang¹, Xiaoyu Zeng¹, Dongdong Yin¹, Lei Yin¹, Xuehuai Shen¹, Fazhi Xu², Yin Dai¹, Xiaocheng Pan¹

Affiliations

¹ Anhui Province Key Laboratory of Livestock and Poultry Product Safety Engineering, Livestock and Poultry Epidemic Diseases Research Center of Anhui Province, Key Laboratory of Pig Molecular Quantitative Genetics of Anhui Academy of Agricultural Sciences, Institute of Animal Husbandry and Veterinary Sciences, Anhui Academy of Agricultural Sciences, Hefei, Anhui, China.
² College of Animal Science and Technology, Anhui Agricultural University, Hefei, China.

Abstract

The high mortality rate of weaned piglets infected with porcine epidemic diarrhea virus (PEDV) poses a serious threat to the pig industry worldwide, demanding urgent research efforts related to developing effective antiviral drugs to prevent and treat PEDV infection. Small molecules can possibly prevent the spread of infection by targeting specific vital components of the pathogen's genome. Main protease (Mpro, also named 3CL protease) plays essential roles in PEDV replication and has emerged as a promising target for the inhibition of PEDV. In this study, wogonin exhibited antiviral activity against a PEDV variant isolate, interacting with the PEDV particles and inhibiting the internalization, replication and release of PEDV. The molecular docking model indicated that wogonin was firmly embedded in the groove of the active pocket of Mpro. Furthermore, the interaction between wogonin and Mpro was validated in silico via microscale thermophoresis and surface plasmon resonance analyses. In addition, the results of a fluorescence resonance energy transfer (FRET) assay indicated that wogonin exerted an inhibitory effect on Mpro. These findings provide useful insights into the antiviral activities of wogonin, which could support future research into anti-PEDV drugs.`.

Keywords: antiviral activity; binding affinity; main protease; porcine epidemic diarrhea virus (PEDV); wogonin.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Animals
Antiviral Agents / pharmacology
Antiviral Agents / therapeutic use
Coronavirus Infections* / drug therapy
Coronavirus Infections* / genetics
Coronavirus Infections* / veterinary
Molecular Docking Simulation
Peptide Hydrolases
Porcine epidemic diarrhea virus* / genetics
Swine
Swine Diseases*

Substances

Antiviral Agents
wogonin
Peptide Hydrolases

Grants and funding

This work was supported by National Natural Science Foundation of China (grant number 32202801), Major Science and Technology Special Project in Anhui Province (grant number 202003a060200127), Natural Science Foundation of Anhui Province (grant numbers 2008085QC138, 2008085MC91), Key Technologies Research and Development Program of Anhui Province (grant number 202204c06020009), and the Special Fund for Anhui Agriculture Research System (grant number AHCYJXTX-05-13).