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All Journal Jurnal Biodjati
Ghea Gema Adzani
Department of Biology, Faculty of Science and Technology, UIN Sunan Gunung Djati, Jl. AH. Nasution, No. 105, Bandung, West Java, Indonesia, 40614
Biochemistry, Genetics & Molecular Biology Earth & Planetary Sciences

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Pharmacophore Analysis of Monoterpene Melaleuca leucadendra as an Inhibitor for 3CLPro of the SARS-CoV-2 Ismi Farah Syarifah; Yani Suryani; Ghea Gema Adzani; Isma Dwi Kurniawan; Opik Taupiqurrohman
Jurnal Biodjati Vol 7, No 2 (2022): November
Publisher : UIN Sunan Gunung Djati Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15575/biodjati.v7i2.20496

Abstract

The monoterpene compound has been reported to have antiviral activities . This study aimed to test the monoterpene compound in Melaleuca leucadendra to inhibit the SARS-CoV-2 virus. The monoterpenes tested were α-Pinene, β-Pinene, Linalool, α-Terpineol, and Terpinene-4-Ol. The method used was computational through pharmacophore analysis. The indicator for the quality of the compound was the fit score. A fit score of more than 50% indicates a good-quality compound, while a fit score of less than that indicates a  poor-quality compound. Based on the analysis results, the monoterpene compound in Melaleuca leucadendra can potentially inhibit the SARS-CoV-2 virus directly through the inhibition of 3C-like protease. The linalool showed a fit score of 55% with interactions of hydrophobic, electrostatic, and hydrogen bonds. All the compounds did not inhibit the metabolic process and were safe, possibly having no side effects based on ADMET analysis.
Co-Authors Ismi Farah Syarifah Kurniawan, Isma Dwi Opik Taupiqurrohman Yani Suryani