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Geraniin Inhibits the Entry of SARS-CoV-2 by Blocking the Interaction between Spike Protein RBD and Human ACE2 Receptor.
Int J Mol Sci. 2021 Aug 10; 22(16)IJ

Abstract

The coronavirus disease 2019 (COVID-19) pandemic is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Despite the development of vaccines, the emergence of SARS-CoV-2 variants and the absence of effective therapeutics demand the continual investigation of COVID-19. Natural products containing active ingredients may be good therapeutic candidates. Here, we investigated the effectiveness of geraniin, the main ingredient in medical plants Elaeocarpus sylvestris var. ellipticus and Nephelium lappaceum, for treating COVID-19. The SARS-CoV-2 spike protein binds to the human angiotensin-converting enzyme 2 (hACE2) receptor to initiate virus entry into cells; viral entry may be an important target of COVID-19 therapeutics. Geraniin was found to effectively block the binding between the SARS-CoV-2 spike protein and hACE2 receptor in competitive enzyme-linked immunosorbent assay, suggesting that geraniin might inhibit the entry of SARS-CoV-2 into human epithelial cells. Geraniin also demonstrated a high affinity to both proteins despite a relatively lower equilibrium dissociation constant (KD) for the spike protein (0.63 μM) than hACE2 receptor (1.12 μM), according to biolayer interferometry-based analysis. In silico analysis indicated geraniin's interaction with the residues functionally important in the binding between the two proteins. Thus, geraniin is a promising therapeutic agent for COVID-19 by blocking SARS-CoV-2's entry into human cells.

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Authors+Show Affiliations

Kim YS
Korean Medicine (KM) Application Center, Korea Institute of Oriental Medicine, Dong-gu, Daegu 41062, Korea.
Chung HS
Korean Medicine (KM) Application Center, Korea Institute of Oriental Medicine, Dong-gu, Daegu 41062, Korea.
Noh SG
College of Pharmacy, Pusan National University, Busan 46241, Korea.
Lee B
Department of Food Science and Nutrition, Pukyong National University, Nam-gu, Daeyeon Dong, Busan 608737, Korea.
Chung HY
College of Pharmacy, Pusan National University, Busan 46241, Korea.
Choi JG
Korean Medicine (KM) Application Center, Korea Institute of Oriental Medicine, Dong-gu, Daegu 41062, Korea.

MeSH

Angiotensin-Converting Enzyme 2GlucosidesHumansHydrolyzable TanninsLigandsMolecular Dynamics SimulationProtein Interaction Domains and MotifsSARS-CoV-2Spike Glycoprotein, CoronavirusVirus Internalization

Pub Type(s)

Journal Article

Language

eng

PubMed ID

34445310

Citation

Kim, Young Soo, et al. "Geraniin Inhibits the Entry of SARS-CoV-2 By Blocking the Interaction Between Spike Protein RBD and Human ACE2 Receptor." International Journal of Molecular Sciences, vol. 22, no. 16, 2021.
Kim YS, Chung HS, Noh SG, et al. Geraniin Inhibits the Entry of SARS-CoV-2 by Blocking the Interaction between Spike Protein RBD and Human ACE2 Receptor. Int J Mol Sci. 2021;22(16).
Kim, Y. S., Chung, H. S., Noh, S. G., Lee, B., Chung, H. Y., & Choi, J. G. (2021). Geraniin Inhibits the Entry of SARS-CoV-2 by Blocking the Interaction between Spike Protein RBD and Human ACE2 Receptor. International Journal of Molecular Sciences, 22(16). https://doi.org/10.3390/ijms22168604
Kim YS, et al. Geraniin Inhibits the Entry of SARS-CoV-2 By Blocking the Interaction Between Spike Protein RBD and Human ACE2 Receptor. Int J Mol Sci. 2021 Aug 10;22(16) PubMed PMID: 34445310.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Geraniin Inhibits the Entry of SARS-CoV-2 by Blocking the Interaction between Spike Protein RBD and Human ACE2 Receptor. AU - Kim,Young Soo, AU - Chung,Hwan-Suck, AU - Noh,Sang Gyun, AU - Lee,Bonggi, AU - Chung,Hae Young, AU - Choi,Jang-Gi, Y1 - 2021/08/10/ PY - 2021/06/07/received PY - 2021/07/30/revised PY - 2021/07/30/accepted PY - 2021/8/27/entrez PY - 2021/8/28/pubmed PY - 2021/9/1/medline KW - coronavirus disease 2019 KW - geraniin KW - hACE2 receptor KW - severe acute respiratory syndrome coronavirus 2 KW - spike protein JF - International journal of molecular sciences JO - Int J Mol Sci VL - 22 IS - 16 N2 - The coronavirus disease 2019 (COVID-19) pandemic is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Despite the development of vaccines, the emergence of SARS-CoV-2 variants and the absence of effective therapeutics demand the continual investigation of COVID-19. Natural products containing active ingredients may be good therapeutic candidates. Here, we investigated the effectiveness of geraniin, the main ingredient in medical plants Elaeocarpus sylvestris var. ellipticus and Nephelium lappaceum, for treating COVID-19. The SARS-CoV-2 spike protein binds to the human angiotensin-converting enzyme 2 (hACE2) receptor to initiate virus entry into cells; viral entry may be an important target of COVID-19 therapeutics. Geraniin was found to effectively block the binding between the SARS-CoV-2 spike protein and hACE2 receptor in competitive enzyme-linked immunosorbent assay, suggesting that geraniin might inhibit the entry of SARS-CoV-2 into human epithelial cells. Geraniin also demonstrated a high affinity to both proteins despite a relatively lower equilibrium dissociation constant (KD) for the spike protein (0.63 μM) than hACE2 receptor (1.12 μM), according to biolayer interferometry-based analysis. In silico analysis indicated geraniin's interaction with the residues functionally important in the binding between the two proteins. Thus, geraniin is a promising therapeutic agent for COVID-19 by blocking SARS-CoV-2's entry into human cells. SN - 1422-0067 UR - https://www.unboundmedicine.com/medline/citation/34445310/Geraniin_Inhibits_the_Entry_of_SARS_CoV_2_by_Blocking_the_Interaction_between_Spike_Protein_RBD_and_Human_ACE2_Receptor_ DB - PRIME DP - Unbound Medicine ER -