Telaah Potensi Antivirus Mitraginin terhadap Protease 3CLpro SARS-CoV-2 dengan Pendekatan Molecular Docking
Year: 2024
Type: article
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.
Source: SINTEZA
Authors: Arif Setiawansyah, Akademi Farmasi Cendikia Farma Husada, Gita Susanti, STIK Siti Khadijah, Nurul Hidayati, Akademi Farmasi Cendikia Farma Husada, Baiq Maylinda Gemantari, Universitas Hamzanwadi, Reza Alrayan, Institut Ilmu Kesehatan Bhakti Wiyata, Ismanurrahman Hadi, Universitas Muhammadyah Cirebon, Dewi Luthfiana, Nurul Hasanah, Universitas Lampung
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4401483205