Discovery of a potent angiotensin converting enzyme 2 inhibitor from Chinese Medicinal and Edible Plant via Docking-based Virtual Screening

Abstract

COVID-19 has outbreaked in Wuhan city, Hubei province of China since December 30th 2019, and spread nationwide and widely spilled over to other countries around the world that has been declared a public health emergency. However, there is no specific drug for the treatment of the disease. Therefore, identifying effective antiviral drugs to combat the disease is urgently needed. Angiotensin converting enzyme 2 (ACE2) has become the promising target to discovery new antiviral drugs to treat COVID-19, we have attempted to discover novel ACE2 inhibitors through ligand-based virtual screening. Finally, eight compounds were selected and tested ACE2 kinase inhibitory assay using fluorescence assays method. The results showed that four compounds (monoammonium glycyrrhizinate, glycyrrhizic acid methyl ester, ginsenoside Rg6 and ginsenoside F1) from 101 kinds of Chinese medicinal and edible plants which could inhibit ACE2 activity in vitro. Further efforts on chemical modification of these lead compounds are undergoing can lead to discover better agents against COVID-19.

Phytoconstituents in the Management of Covid-19: Demystifying the Fact

“…In vivo studies have shown that ginsenoside Rg3, a tetracyclic triterpenoid saponin, increases ACE2 levels and protects against Ang II-mediated renal damage [69]. Following the SARS-CoV-2 epidemic, a recent virtual screening indicated that arundoin and a few steroid glycosides (azukisaponin I, 20(S),24(R)ocotillol, and ginsenoside Rg6) may modify ACE2 activity [70].…”

Natural Products Modulating Angiotensin Converting Enzyme 2 (ACE2) as Potential COVID-19 Therapies

“…An in vivo study demonstrated that ginsenoside Rg3, a tetracyclic triterpenoid saponin, induces the upregulation of ACE2 levels and attenuates Ang II-mediated renal injury ( Liu et al, 2019 ). Following the outbreak of SARS-CoV-2, a recent virtual screening revealed that the steroid, arundoin, and some steroid glycosides (azukisaponin I, 20(S),24(R)-ocotillol and ginsenoside Rg6) can modulate ACE2 activity ( Zi et al, 2020 ). In this study, the bioactive compounds demonstrated promising activity with a lower percentage inhibition based on an ACE2 kinase inhibition assay.…”