Pharmacophore Analysis of Monoterpene Melaleuca leucadendra as an Inhibitor for 3CLPro of the SARS-CoV-2

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چکیده

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

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ژورنال

عنوان ژورنال: Jurnal Biodjati

سال: 2022

ISSN: ['2541-4208', '2548-1606']

DOI: https://doi.org/10.15575/biodjati.v7i2.20496