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In silico inhibition potential of artemisinin derivatives against SARS-CoV-2 main protease

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info:eu-repo/semantics/openAccess

Date

2021

Author

Emirik, Mustafa

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Citation

Emirik, M. (2021). In silico inhibition potential of artemisinin derivatives against sars-cov-2 main protease. El-Cezeri Journal of Science and Engineering, 8(2), 809-816. https://doi.org/10.31202/ecjse.894617

Abstract

The outbreak of COVID-19 caused by the SARS-CoV-2 virus has recently affected millions worldwide. The natural compounds obtained from medicinal plants have been proven to be the source of many treatments throughout history. Efforts to combat Sars-CoV-2 generally focused on repositioning drugs or finding treatments with natural compounds and have been rapidly ongoing. Main protease (Mpro) is a vital protein of SARS-CoV-2 and an important target of drug research. The present study evaluated seven artemisinin derivatives: artemisinin, artemether, arteether, artesunate, dihydroartemisinic acid, dihydroartemisinin and artemisinic acid. For this purpose, the molecular docking study was carried out to investigate the potency of artemisinin derivatives against the SARS-CoV-2 Mpro. As a result, artesunate, dihydroartemisinic acid and dihydroartemisinin had promising results in Mpro inhibition with the binding energies between-8.42 and-9.35 kcal/mol.

Source

El-Cezeri Journal of Science and Engineering

Volume

8

Issue

2

URI

https://doi.org/10.31202/ecjse.894617
https://hdl.handle.net/11436/7266

Collections

  • FEF, Kimya Bölümü Koleksiyonu [478]
  • Scopus İndeksli Yayınlar Koleksiyonu [6032]
  • TR-Dizin İndeksli Yayınlar Koleksiyonu [2844]



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