Journal of Plant Biotechnology

  • 제48권4호
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  • Pages.289-303
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  • 2021
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  • 1229-2818(pISSN)
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  • 2384-1397(eISSN)
한국식물생명공학회 (The Korean Society of Plant Biotechnology)
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Potential of Hanjeli (Coix lacryma-jobi) essential oil in preventing SARS-CoV-2 infection via blocking the Angiotensin Converting Enzyme 2 (ACE2) receptor

  • Diningrat, Diky Setya (Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Medan) ;
  • Sari, Ayu Nirmala (Biology Study Program, Faculty of Science and Technology, UIN Ar-Raniry Banda Aceh) ;
  • Harahap, Novita Sari (Department of Sports Science, Faculty of Sports Science, Universitas Negeri Medan) ;
  • Kusdianti, Kusdianti (Department of Biology, Faculty of Mathematics and Natural Sciences Education, Indonesian University of Education)
  • 투고 : 2021.09.14
  • 심사 : 2021.12.27
  • 발행 : 2021.12.31
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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.

키워드

과제정보

The authors thank to the DRPM Kemendikbudristekdikti which has funded this research with the 2021 multi-year basic research scheme numbered DIPA SP DIPA-023.17. The author also expresses appreciation to the research team members from the Department of Biology, Faculty of Mathematics and Natural Sciences, Medan State University; Biology Study Program, Faculty of Science and Technology, UIN Ar-Raniry Banda Aceh; Department of Sports Science, Faculty of Sports Science, State University of Medan; Department of Biology, Faculty of Mathematics and Natural Sciences Education, Indonesian Education University, Bandung.

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