Potential of Hanjeli (Coix lacryma-jobi) essential oil in preventing SARS-CoV-2 infection via blocking the Angiotensin Converting Enzyme 2 (ACE2) receptor

• 발행기관: (사)한국식물생명공학회
• 저자명: Diky Setya Diningrat Ayu Nirmala Sari Novita Sari Harahap Kusdianti
• 간행물 정보: 『Journal of Plant Biotechnology』48권 4호, 289~303쪽, 전체 15쪽
• 주제분류: 농수해양 > 기타농수해양
• 파일형태: PDF
• 발행일자: 2021.12.31

영문 초록

Covid-19 is an ongoing pandemic as we speak in 2022. This infectious disease is caused by the SARS-CoV-2 virus, which infects cells by binding to the angiotensin- converting enzyme 2 (ACE2) receptor on the cell surface. Thus, strategies that inhibit the binding of SARS-CoV-2 to the ACE2 receptor can stop this contagion. Hanjeli (Coix lacryma-jobi) essential oil contains many bioactive compounds, including dodecanoic acid; tetradecanoic acid; 7-Amino-8- imino-2-(2-imino-2H-chromen-3-yl); and 1,5,7,10-tetraaza- phen-9-one. These compounds suppress viral replication and may prevent Covid-19. Accordingly, this study assessed whether, these four limonoid compounds can block the ACE2 receptor. To this end, their physicochemical properties were predicted using Lipinski’s “rule of five” on the SwissADME website, and their toxicity was assessed using the online tools ProTox and pkCSM. Additionally, their interactions with the ACE2 receptor were predicted via molecular docking using Autodock Vina. All the four compounds satisfied the “rule of five” and tetradecanoic acid was predicted to have a higher affinity than the comparison compound remdesivir and the original ligand of ACE2. Molecular docking results suggested that the compounds from hanjeli essential oil interact with the active site of the ACE2 receptor similarly as the original ligand and remdesivir. In conclusion, hanjeli essential oil contains compounds predicted hinder the interaction of SARS-CoV-2 with the ACE2 receptor. Accordingly, our data may facilitate the development of a phytomedical strategy against SARS- CoV-2 infection.

목차

Introduction

Material and Method

Results And Discussions

Conclusions

Conflict of Interest Disclosures

Authors’ Contributions

Acknowledgement

References

키워드

Antiviral ACE2 ACE2 Inhibitor Coix lacryma- jobi Essential Oil