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Targeting CoV-2 Spike RBD and ACE-2 Interaction with Flavonoids of Anatolian Propolis by in silico and in vitro Studies in terms of possible COVID-19 therapeutics

View ORCID ProfileHalil Ibrahim Guler, Fulya AY Sal, Zehra Can, Yakup Kara, Oktay Yildiz, Ali Osman Belduz, Sabriye Çanakci, Sevgi Kolayli
doi: https://doi.org/10.1101/2021.02.22.432207
Halil Ibrahim Guler
1Karadeniz Technical University, Faculty of Science, Department of Molecular Biology and Genetics, 61080 Trabzon, TURKEY
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  • ORCID record for Halil Ibrahim Guler
  • For correspondence: hiboguler@gmail.com
Fulya AY Sal
2Karadeniz Technical University, Faculty of Science, Department of Biology, 61080 Trabzon, TURKEY
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Zehra Can
3School of Applied Sciences, Bayburt University, Bayburt, TURKEY
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Yakup Kara
4Karadeniz Technical University, Department of Chemistry, Trabzon, TURKEY
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Oktay Yildiz
5Karadeniz Technical University, Faculty of Pharmacy, Basic Pharmaceutical Sciences, Department of Biochemistry, 61080 Trabzon, TURKEY
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Ali Osman Belduz
2Karadeniz Technical University, Faculty of Science, Department of Biology, 61080 Trabzon, TURKEY
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Sabriye Çanakci
2Karadeniz Technical University, Faculty of Science, Department of Biology, 61080 Trabzon, TURKEY
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Sevgi Kolayli
4Karadeniz Technical University, Department of Chemistry, Trabzon, TURKEY
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ABSTRACT

Propolis is a multi-functional bee product with a rich in polyphenols. In this study, the inhibition effect of Anatolian propolis against SARS coronavirus-2 (SARS CoV-2) was investigated as in vitro and in silico. Raw and commercial of propolis samples were used in the study and it was found that both of were rich in caffeic acid, p-coumaric acid, ferulic acid, t-cinnamic acid, hesperetin, chrysin, pinocembrin and caffeic acid phenethyl ester (CAPE) by HPLC-UV analysis. The ethanolic propolis extracts (EPE) were used in the screening ELISA test against the spike S1 protein (SARS Cov-2): ACE-2 inhibition KIT for in vitro study. Binding energy constants of these polyphenols to the CoV-2 Spike S1 RBD and ACE-2 proteinwere calculated separately as molecular docking study using AutoDock 4.2 molecular docking software. In addition, pharmacokinetics and drug-likeness properties of these eight polyphenols were calculated according to the SwissADME tool. Binding energy constant of pinocembrin was found the highest for both receptors, followed by chrysin, CAPE and hesperetin. In silico ADME behavior of the eight polyphenol was found potential ability to work effectively as novel drugs. The findings of both studies showed that propolis has a high inhibitory potential against Covid-19 virus.However, further studies are needed.

Competing Interest Statement

The authors have declared no competing interest.

Footnotes

  • Conflict of interest No conflict of interest is declared.

Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license.
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Posted February 22, 2021.
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Targeting CoV-2 Spike RBD and ACE-2 Interaction with Flavonoids of Anatolian Propolis by in silico and in vitro Studies in terms of possible COVID-19 therapeutics
Halil Ibrahim Guler, Fulya AY Sal, Zehra Can, Yakup Kara, Oktay Yildiz, Ali Osman Belduz, Sabriye Çanakci, Sevgi Kolayli
bioRxiv 2021.02.22.432207; doi: https://doi.org/10.1101/2021.02.22.432207
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Targeting CoV-2 Spike RBD and ACE-2 Interaction with Flavonoids of Anatolian Propolis by in silico and in vitro Studies in terms of possible COVID-19 therapeutics
Halil Ibrahim Guler, Fulya AY Sal, Zehra Can, Yakup Kara, Oktay Yildiz, Ali Osman Belduz, Sabriye Çanakci, Sevgi Kolayli
bioRxiv 2021.02.22.432207; doi: https://doi.org/10.1101/2021.02.22.432207

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