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Screening of Secondary Metabolites in Artemisia annua as Potential Inhibitors of Coronavirus Proteases by in silico Approaches

Randriamamisolonirina Tendrinarisoa, Andriamaroarison Ando Tiana, Razafindrafara Mirantsoa Suzanne, Andriantsimahavandy Andriambadanaina Abel, Rakotosaona Rianasoambolanoro, Ramanitrahasimbola David, Rakotonirina Hanitra Clara, Maminiaina Olivier Fridolin
Received: 29 September 2021    Accepted: 25 October 2021    Published: 5 November 2021
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Abstract

To date, no specific drug has been proven to treat COVID-19. It encourages people to use medicinal plants to treat or protect themselves against these diseases. Artemisia annua is one of the promising plants that have already been used in coronary disease. However, the antiviral compounds present in this plant remain poorly known. In this study, we aimed to identify some of these molecules by in silico approach. During the screening, 102 secondary metabolites of Artemisia annua were selected and the two viral proteins 3CLpro and PLpro of SARS-CoV2 were selected as targets. Then, a preliminary analysis was performed to determine the inhibition capacity of these phytoligands for the two viral proteins. Then, the phytoligands with stronger interaction energy with these target proteins were selected and their physicochemical properties and ADMET profile were analyzed. Consequently, 13 molecules of Artemisia annua, namely Apigenin, Axillarin, Crysoeriol, 8-Hydroxygalangin, Isorhamnetin, Kaempferol, Luteolin, Luteolin-7-methyleter, Quercetagetin-3-4-dimethyleter, Quercetagetin-3-4-dimethyleter, Quercetin-3-methyleter, Quercetin, Rhamnetin, and Tamarixetin can inhibit the two proteases of SARS CoV2. They also have a good physicochemical profile and an ADMET property in the human. These molecules may be compounds promoting an antiviral treatment in Artemisia annua. To complete these results, in vitro tests are necessary.

DOI 10.11648/j.abb.20210904.12
Published in Advances in Bioscience and Bioengineering (Volume 9, Issue 4, December 2021)
Page(s) 96-110
Creative Commons

This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.

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Copyright © The Author(s), 2024. Published by Science Publishing Group
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Keywords

SARS-Cov2, 3CLpro, PLpro, Artemisia Annua, Secondary Metabolites, Docking, ADMET

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    Randriamamisolonirina Tendrinarisoa, Andriamaroarison Ando Tiana, Razafindrafara Mirantsoa Suzanne, Andriantsimahavandy Andriambadanaina Abel, Rakotosaona Rianasoambolanoro, et al. (2021). Screening of Secondary Metabolites in Artemisia annua as Potential Inhibitors of Coronavirus Proteases by in silico Approaches. Advances in Bioscience and Bioengineering, 9(4), 96-110. https://doi.org/10.11648/j.abb.20210904.12

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    Randriamamisolonirina Tendrinarisoa; Andriamaroarison Ando Tiana; Razafindrafara Mirantsoa Suzanne; Andriantsimahavandy Andriambadanaina Abel; Rakotosaona Rianasoambolanoro, et al. Screening of Secondary Metabolites in Artemisia annua as Potential Inhibitors of Coronavirus Proteases by in silico Approaches. Adv. BioSci. Bioeng. 2021, 9(4), 96-110. doi: 10.11648/j.abb.20210904.12

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    AMA Style

    Randriamamisolonirina Tendrinarisoa, Andriamaroarison Ando Tiana, Razafindrafara Mirantsoa Suzanne, Andriantsimahavandy Andriambadanaina Abel, Rakotosaona Rianasoambolanoro, et al. Screening of Secondary Metabolites in Artemisia annua as Potential Inhibitors of Coronavirus Proteases by in silico Approaches. Adv BioSci Bioeng. 2021;9(4):96-110. doi: 10.11648/j.abb.20210904.12

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  • @article{10.11648/j.abb.20210904.12,
  author = {Randriamamisolonirina Tendrinarisoa and Andriamaroarison Ando Tiana and Razafindrafara Mirantsoa Suzanne and Andriantsimahavandy Andriambadanaina Abel and Rakotosaona Rianasoambolanoro and Ramanitrahasimbola David and Rakotonirina Hanitra Clara and Maminiaina Olivier Fridolin},
  title = {Screening of Secondary Metabolites in Artemisia annua as Potential Inhibitors of Coronavirus Proteases by in silico Approaches},
  journal = {Advances in Bioscience and Bioengineering},
  volume = {9},
  number = {4},
  pages = {96-110},
  doi = {10.11648/j.abb.20210904.12},
  url = {https://doi.org/10.11648/j.abb.20210904.12},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.abb.20210904.12},
  abstract = {To date, no specific drug has been proven to treat COVID-19. It encourages people to use medicinal plants to treat or protect themselves against these diseases. Artemisia annua is one of the promising plants that have already been used in coronary disease. However, the antiviral compounds present in this plant remain poorly known. In this study, we aimed to identify some of these molecules by in silico approach. During the screening, 102 secondary metabolites of Artemisia annua were selected and the two viral proteins 3CLpro and PLpro of SARS-CoV2 were selected as targets. Then, a preliminary analysis was performed to determine the inhibition capacity of these phytoligands for the two viral proteins. Then, the phytoligands with stronger interaction energy with these target proteins were selected and their physicochemical properties and ADMET profile were analyzed. Consequently, 13 molecules of Artemisia annua, namely Apigenin, Axillarin, Crysoeriol, 8-Hydroxygalangin, Isorhamnetin, Kaempferol, Luteolin, Luteolin-7-methyleter, Quercetagetin-3-4-dimethyleter, Quercetagetin-3-4-dimethyleter, Quercetin-3-methyleter, Quercetin, Rhamnetin, and Tamarixetin can inhibit the two proteases of SARS CoV2. They also have a good physicochemical profile and an ADMET property in the human. These molecules may be compounds promoting an antiviral treatment in Artemisia annua. To complete these results, in vitro tests are necessary.},
 year = {2021}
}

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  • TY  - JOUR
T1  - Screening of Secondary Metabolites in Artemisia annua as Potential Inhibitors of Coronavirus Proteases by in silico Approaches
AU  - Randriamamisolonirina Tendrinarisoa
AU  - Andriamaroarison Ando Tiana
AU  - Razafindrafara Mirantsoa Suzanne
AU  - Andriantsimahavandy Andriambadanaina Abel
AU  - Rakotosaona Rianasoambolanoro
AU  - Ramanitrahasimbola David
AU  - Rakotonirina Hanitra Clara
AU  - Maminiaina Olivier Fridolin
Y1  - 2021/11/05
PY  - 2021
N1  - https://doi.org/10.11648/j.abb.20210904.12
DO  - 10.11648/j.abb.20210904.12
T2  - Advances in Bioscience and Bioengineering
JF  - Advances in Bioscience and Bioengineering
JO  - Advances in Bioscience and Bioengineering
SP  - 96
EP  - 110
PB  - Science Publishing Group
SN  - 2330-4162
UR  - https://doi.org/10.11648/j.abb.20210904.12
AB  - To date, no specific drug has been proven to treat COVID-19. It encourages people to use medicinal plants to treat or protect themselves against these diseases. Artemisia annua is one of the promising plants that have already been used in coronary disease. However, the antiviral compounds present in this plant remain poorly known. In this study, we aimed to identify some of these molecules by in silico approach. During the screening, 102 secondary metabolites of Artemisia annua were selected and the two viral proteins 3CLpro and PLpro of SARS-CoV2 were selected as targets. Then, a preliminary analysis was performed to determine the inhibition capacity of these phytoligands for the two viral proteins. Then, the phytoligands with stronger interaction energy with these target proteins were selected and their physicochemical properties and ADMET profile were analyzed. Consequently, 13 molecules of Artemisia annua, namely Apigenin, Axillarin, Crysoeriol, 8-Hydroxygalangin, Isorhamnetin, Kaempferol, Luteolin, Luteolin-7-methyleter, Quercetagetin-3-4-dimethyleter, Quercetagetin-3-4-dimethyleter, Quercetin-3-methyleter, Quercetin, Rhamnetin, and Tamarixetin can inhibit the two proteases of SARS CoV2. They also have a good physicochemical profile and an ADMET property in the human. These molecules may be compounds promoting an antiviral treatment in Artemisia annua. To complete these results, in vitro tests are necessary.
VL  - 9
IS  - 4
ER  -

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Author Information

  • Randriamamisolonirina Tendrinarisoa

    Malagasy Institute of Veterinary Vaccines (IMVAVET), Antananarivo, Madagascar

  • Andriamaroarison Ando Tiana

    Malagasy Institute of Veterinary Vaccines (IMVAVET), Antananarivo, Madagascar; Department of Education of Veterinary Science and Medicine, Faculty of Medicine, Antananarivo, Madagascar

  • Razafindrafara Mirantsoa Suzanne

    Malagasy Institute of Veterinary Vaccines (IMVAVET), Antananarivo, Madagascar; Department of Zootechnical, Veterinary and Fish Research (DRZVP), National Centre for Research Applied to Rural Development (CENRADERU), Antananarivo, Madagascar

  • Andriantsimahavandy Andriambadanaina Abel

    Department of Biochemistry, Faculty of Sciences, University of Antananarivo, Antananarivo, Madagascar

  • Rakotosaona Rianasoambolanoro

    National Centre for the Application of Pharmaceutical Research, Antananarivo, Madagascar

  • Ramanitrahasimbola David

    Mention Pharmacy, Faculty of Medicine, University of Antananarivo, Antananarivo, Madagascar

  • Rakotonirina Hanitra Clara

    Malagasy Institute of Veterinary Vaccines (IMVAVET), Antananarivo, Madagascar

  • Maminiaina Olivier Fridolin

    Malagasy Institute of Veterinary Vaccines (IMVAVET), Antananarivo, Madagascar; Department of Zootechnical, Veterinary and Fish Research (DRZVP), National Centre for Research Applied to Rural Development (CENRADERU), Antananarivo, Madagascar; Department of Education of Veterinary Science and Medicine, Faculty of Medicine, Antananarivo, Madagascar

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