Melola Discovery

← Melola Discovery

Jurnal

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

Jurnal Biodjati · Vol. 7 No. 2 (2022) · hlm. 259–267

DOI
10.15575/biodjati.v7i2.20496
ISSN
2541-4208, 2548-1606
Terbit
2022-11-30
Penerbit
UIN Sunan Gunung Djati Bandung
Bahasa
eng

Abstrak

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.

Kata kunci

Jaringan kolaborasi para penulis

40 penulis · 118 tautan kepenulisan bersama · menampilkan 40 yang paling banyak terhubung

Arahkan kursor atau ketuk sebuah nama untuk menyorot rekan penulisnya. Klik dua kali untuk membuka halaman penulis.

  • Padjadjaran University
  • Universitas Halu Oleo
  • Afiliasi tidak diketahui
  • Organisasi berbeda
  • Organisasi sama
  • Afiliasi tidak diketahui
  • Garis lebih tebal = lebih banyak artikel bersama · lingkaran lebih besar = lebih banyak artikel
Tampilkan sebagai tabel
Rekan penulisOrganisasiArtikel bersama
Iman HernamanPadjadjaran University3
Astuti KusumoriniAfiliasi tidak diketahui3
Tri CahyantoAfiliasi tidak diketahui2
Ateng SupriyatnaAfiliasi tidak diketahui2
sumiyati Sa’adahAfiliasi tidak diketahui2
Rahmat Taufiq Mustahiq AkbarAfiliasi tidak diketahui2
Ahmad Zaenal EpendiAfiliasi tidak diketahui2
Fauziah Qurota AyuniAfiliasi tidak diketahui2
Muhammad YusufUniversitas Halu Oleo2
Toto SubrotoAfiliasi tidak diketahui2
Sukma NuswantaraAfiliasi tidak diketahui2
Dina AmaliaAfiliasi tidak diketahui2
Firman RezaldiAfiliasi tidak diketahui2
Ida KinasihAfiliasi tidak diketahui2
Musa'adah Musa'adahAfiliasi tidak diketahui1
Adisty Virakawugi DarniwaAfiliasi tidak diketahui1
Muna MumtazahAfiliasi tidak diketahui1
Muhammad Wisnu BurhanuddinAfiliasi tidak diketahui1
Cecep HidayatAfiliasi tidak diketahui1
Opik Taupik KurahmanAfiliasi tidak diketahui1
Mashuri MasriAfiliasi tidak diketahui1
Astri YuliawatiAfiliasi tidak diketahui1
Lusi HaerunnisaAfiliasi tidak diketahui1
Asep SupriadinAfiliasi tidak diketahui1
Epa PaujiahAfiliasi tidak diketahui1
Maratus SolikhaAfiliasi tidak diketahui1
Nisrina HasnaAfiliasi tidak diketahui1
Opik Taufiqurrahman4Afiliasi tidak diketahui1
Listia Wati SophiaAfiliasi tidak diketahui1
Rahmat Taufiq Mustahiq AkbarAfiliasi tidak diketahui1
Amalia KhoirAfiliasi tidak diketahui1
Poniah AndayaningsihAfiliasi tidak diketahui1
Ida RohimahAfiliasi tidak diketahui1
Neng Hilma HamidahAfiliasi tidak diketahui1
Liberty ChaidirAfiliasi tidak diketahui1

Afiliasi berasal dari OpenAlex; metadata OAI-PMH jurnal tidak memuatnya. Penulis tanpa ID OpenAlex dicocokkan berdasarkan nama, sehingga dua orang bisa tergabung atau satu orang bisa terpisah.

Sumber metadata: OAI-PMH (metadata jurnal) https://journal.uinsgd.ac.id/index.php/biodjati/oai, pertama di-harvest 7 Nov 2026, terakhir terlihat 8 Nov 2026.
Metadata asli (oai_dc) 
<oai_dc:dc xmlns="http://www.openarchives.org/OAI/2.0/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/  http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
	<dc:title xml:lang="en-US">Pharmacophore Analysis of Monoterpene Melaleuca leucadendra as an Inhibitor for 3CLPro of the SARS-CoV-2</dc:title>
	<dc:creator>Syarifah, Ismi Farah</dc:creator>
	<dc:creator>Suryani, Yani</dc:creator>
	<dc:creator>Adzani, Ghea Gema</dc:creator>
	<dc:creator>Kurniawan, Isma Dwi</dc:creator>
	<dc:creator>Taupiqurrohman, Opik</dc:creator>
	<dc:subject xml:lang="en-US">Pharmacophore</dc:subject>
	<dc:subject xml:lang="en-US">monoterpene</dc:subject>
	<dc:subject xml:lang="en-US">Melaleuca Leucadendra</dc:subject>
	<dc:subject xml:lang="en-US">Sars CoV-2</dc:subject>
	<dc:description xml:lang="en-US">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.</dc:description>
	<dc:publisher xml:lang="en-US">UIN Sunan Gunung Djati Bandung</dc:publisher>
	<dc:date>2022-11-30</dc:date>
	<dc:type>info:eu-repo/semantics/article</dc:type>
	<dc:type>info:eu-repo/semantics/publishedVersion</dc:type>
	<dc:type xml:lang="en-US">Peer-reviewed Article</dc:type>
	<dc:format>application/pdf</dc:format>
	<dc:identifier>https://journal.uinsgd.ac.id/index.php/biodjati/article/view/20496</dc:identifier>
	<dc:identifier>10.15575/biodjati.v7i2.20496</dc:identifier>
	<dc:source xml:lang="en-US">Jurnal Biodjati; Vol. 7 No. 2 (2022): November; 259-267</dc:source>
	<dc:source xml:lang="id-ID">Jurnal Biodjati; Vol 7 No 2 (2022): November; 259-267</dc:source>
	<dc:source>2541-4208</dc:source>
	<dc:source>2548-1606</dc:source>
	<dc:language>eng</dc:language>
	<dc:relation>https://journal.uinsgd.ac.id/index.php/biodjati/article/view/20496/7853</dc:relation>
	<dc:rights xml:lang="en-US">Copyright (c) 2022 Jurnal Biodjati</dc:rights>
</oai_dc:dc>