Investigation of potential inhibitor properties of ethanolic propolis extracts against ACE-II receptors for COVID-19 treatment by molecular docking study.

May 5, 2021

Halil Ibrahim Guler, Gizem Tatar, Oktay Yildiz, Ali Osman Belduz & Sevgi Kolayli

Archives of Microbiology

The study’s objective was to investigate the potential of propolis extracts to bind to Angiotensin-Converting Enzyme (ACE) receptors and subsequently compare their performance to traditionally used ACE inhibitors. Propolis is a natural mixture generated by honey bees that is most commonly used when dissolved in 60-80% ethanol. Previous studies have demonstrated that flavonoids, an active ingredient in propolis, have a high inhibition potential for ACE. In addition, subsequent studies have identified ACE-II as a functional receptor for SARS-CoV-2, the virus that causes COVID-19, and the SARS-CoV-2 spike proteins have been found to have a strong binding affinity towards ACE-II. It is ACE-II that binds to SARS-CoV-2 and enables it to enter the host cell. In the study, flavonoids within the propolis were identified and used as a ligand in a molecular docking simulation with ACE-II. Through HPLC–UV chromatogram testing, ethanolic propolis was found to be rich in flavonoids, although composition varied with environmental and chemical conditions. Following the molecular docking simulation,the binding affinities of the flavonoids were evaluated by determining the binding energies and KI values. This analysis indicated that several phenolic compounds, most prominently rutin, are competitive inhibitors of ACE-II. Thus, the study concluded that ethanolic propolis may be used as a competitive inhibitor for ACE-II and may potentially be a natural protective agent against COVID-19. It is predicted that ACE-II inhibition via ethanolic propolis may have the potential to prevent or delay the entry of COVID-19 into the cell due to the presence of flavonoids such as rutin. However, further in vivo and clinical trials are still needed to prove efficiency and safety before clinical use.

Guler, H.I., Tatar, G., Yildiz, O. et al. Investigation of potential inhibitor properties of ethanolic propolis extracts against ACE-II receptors for COVID-19 treatment by molecular docking study. Arch Microbiol (2021). https://doi.org/10.1007/s00203-021-02351-1

Partners