Sinteza
Vol. 4 No. 2 (2024): August

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

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)



Article Info

Publish Date
01 Aug 2024

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. 

Copyrights © 2024






Journal Info

Abbrev

sinteza

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemistry Health Professions Immunology & microbiology Medicine & Pharmacology

Description

Sinteza, ISSN (online) 2797-8133, is a peer-reviewed journal in pharmacy. Established 2021, the journal is an open access of published articles to support greater exposure of scientific knowledge. Sinteza published online twice a year by Faculty of Health, Universitas hamzanwadi. Sinteza accepts ...