Telaah Potensi Antivirus Mitraginin terhadap Protease 3CLpro SARS-CoV-2 dengan Pendekatan Molecular Docking

Authors

  • Arif Setiawansyah Akademi Farmasi Cendikia Farma Husada, Bandar Lampung
  • Gita Susanti Program Studi Farmasi, STIK Siti Khadijah, Palembang
  • Nurul Hidayati Akademi Farmasi Cendikia Farma Husada, Bandar Lampung
  • Baiq Maylinda Gemantari Fakultas Kesehatan, Universitas Hamzanwadi, Selong
  • Reza Alrayan Fakultas Farmasi, Institut Ilmu Kesehatan Bhakti Wiyata, Kediri
  • Ismanurrahman Hadi Fakultas Farmasi, Universitas Muhammadyah Cirebon, Cirebon
  • Dewi Luthfiana Department of Applied Biosciences, Nagoya University, Nagoya
  • Nurul Hasanah Fakultas Pertanian, Universitas Lampung, Bandar Lampung

DOI:

https://doi.org/10.29408/sinteza.v4i2.25634

Keywords:

Mitragynine, SARS-CoV-2, 3CLpro, COVID-19, Molecular docking

Abstract

SARS-CoV-2 is a novel coronavirus identified as a major caused of COVID-19. COVID-19 can be prevented and managed by preventing the SARS-CoV-2 infection through inhibition of SARS-CoV-2 main protease. Mitragynine is one of the major compounds found in Mitragyna speciosa leaves that has the potential to be developed as an anti-COVID-19 agent. This research was implemented to evaluate that potential by observing the molecular interaction of mitragynine with the essential amino acid residues of SARS-CoV-2 3CLpro. The study was undertaken by in silico method via molecular docking approach using Autodock 4.2. The potential of mitragynine in inhibiting the SARS-CoV-2 main protease was justified based on its free binding energy and Ki. The result revealed that mitragynine exhibited a lower free binding energy and Ki than remdesivir with the free binding energy and Ki value of -7.80 kcal/mol dan 1.92 µM dan -7.41 kcal/mol dan 3.72 µM, respectively. This concluded that mitragynine has the potential as a SARS-CoV-2 main protease inhibitor with the affinity was better than remdesivir. However, further in vitro research must be carried out to prove this potential. 

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Published

2024-08-01

How to Cite

Setiawansyah, A., Susanti, G., Hidayati, N., Gemantari, B. M., Alrayan, R., Hadi, I., … Hasanah, N. (2024). Telaah Potensi Antivirus Mitraginin terhadap Protease 3CLpro SARS-CoV-2 dengan Pendekatan Molecular Docking. Sinteza, 4(2), 65–73. https://doi.org/10.29408/sinteza.v4i2.25634

Issue

Vol. 4 No. 2 (2024): August

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