Exploring the effectiveness of licorice in the treatment of COVID-19 through bioinformatics analysis and molecular dynamics simulation

Exploring the effectiveness of licorice in the treatment of COVID-19 through bioinformatics analysis and molecular dynamics simulation

A new study examines the effectiveness of licorice in treating COVID-19

A recently published study in the journal Frontiers in Pharmacology examines the effectiveness of licorice in treating coronavirus disease 2019 (COVID-19). The researchers have identified various mechanisms by which licorice reduces the inflammatory response, inhibits tissue damage and cell death, regulates cell survival, and promotes tissue growth after infection with severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).

background

Given the lack of effective COVID-19 therapeutics with few side effects, many herbal medicines have proven effective in limiting SARS-CoV-2 entry and replication in host cells. Various studies have shown that many active compounds in licorice, for example, can effectively neutralize SARS-CoV-2 and minimize the symptoms of COVID-19. These effects are likely due to the ability of these components to disrupt the interaction between the receptor binding domain (RBD) of SARS-CoV-2 and the host cell's angiotensin-converting enzyme 2 (ACE2) receptor. In addition, quercetin, an active compound in licorice, appears to reduce the level of the cytokine interleukin-6 (IL-6), while triterpenoid licorice saponin A3 (A3) and glycyrrhizic acid (GA) inhibit the RBD of SARS-CoV-2 and non-structural protein 7 (nsp7).

The study

The researchers used bioinformatics analysis, molecular docking techniques and molecular dynamics simulations to determine the affective effectiveness of different licorice active components against different viral targets. Furthermore, molecular dynamics simulation allowed evaluation of the stability of these bound complexes for further analysis. The scientists also used various bioinformatics platforms to study licorice's potential mechanisms of action against SARS-CoV-2.

Study results

200 licorice compounds were retrieved from the Traditional Chinese Medicine System Pharmacology Database (TCMSP), of which 11 were selected. Of the total 255 and 4,628 gene targets of licorice and COVID-19, respectively, 101 common targets were identified. These 101 genes are referred to as “core intersectional gene targets”. Subsequent analysis of these genes revealed that they were associated with cytokine transmission and inflammatory responses. Another finding was that licorice regulates gene expression, the inflammatory response of cytokines and various signaling pathways.

Using molecular docking analysis, numerous interactions between the licorice-active ingredients and the viral target structures were identified. Some of these are CXCL8/Phaseol, IL2RA/Glycyrol, STAT3/Glycyrol and MMP1/Glyaspern F. These interactions can inhibit inflammatory processes, activate the immune system and promote tissue growth.

Conclusions

The present study provides in silico predictions on how different active ingredients in licorice may interact with different targets of SARS-CoV-2. These findings provide new insights into the mechanisms through which certain active ingredients in licorice can exert their antiviral effects. However, it should be noted that further research and clinical trials are needed to confirm the true effectiveness of licorice in treating COVID-19.

Reference:
Cao, J., Gong, Y., Wu, M., et al. (2022). Exploring the mechanism of action of licorice in the treatment of COVID-19 through bioinformatics analysis and molecular dynamics simulation. Frontiers In Pharmacology. doi:10.3389/fphar.2022.1003310