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In Silico Analysis of Catechin, Galangin, and Hesperidin as Competitors of the SARS-CoV-2 Spike Protein

Jurnal Biodjati · Vol. 8 No. 1 (2023) · hlm. 163–171

DOI
10.15575/biodjati.v8i1.24521
ISSN
2541-4208, 2548-1606
Terbit
2023-05-30
Penerbit
UIN Sunan Gunung Djati Bandung
Bahasa
eng

Abstrak

Currently, Covid-19 has become endemic. However, the development of Covid-19 drugs continues to be carried out to suppress the growth of the Sars-Cov-2 virus. Some compounds with antiviral activity are catechin, galangin, and hesperidin. Angiotensin-converting enzyme-2 (ACE-2) is a protein that enters viruses into the cell. Based on that, ACE-2 can be used as a primary target to suppress the development of the Sars-Cov-2 virus. This study aimed to test the catechin, galangin, and hesperidin compounds in inhibiting the SARS CoV-2 virus from attaching to ACE-2 by trying the interactions of catechin, galangin, and hesperidin compounds with ACE-2 using the in-silico method. The material used was the three-dimensional structure of the compounds catechin, galangin hesperidin, and ACE-2. The tools used were FAF-Drugs4, Discovery Studio, and Pyrex software. Low-affinity energy values (kcal/mol) indicate promising results. The results showed that the energy affinity value of catechin was -6.2 kcal/mol, galangin was -6.3 kcal/mol, and hesperidin was -8.3 kcal/mol. This value is lower than the control affinity energy (chloroquine and favipiravir), which is -5.2 kcal/mol and -4.8 kcal/mol, respectively. Based on this, catechin, galangin, and hesperidin can be used as inhibitors/competitors for the Sars-Cov-2 to attach to ACE-2.

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Opik TaupiqurrohmanAfiliasi tidak diketahui5
Iman HernamanPadjadjaran University3
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Ateng SupriyatnaAfiliasi tidak diketahui2
sumiyati Sa’adahAfiliasi tidak diketahui2
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Mashuri MasriAfiliasi tidak diketahui1
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Epa PaujiahAfiliasi tidak diketahui1
Maratus SolikhaAfiliasi tidak diketahui1
Muhammad YusufUniversitas Halu Oleo1
Toto SubrotoAfiliasi tidak diketahui1
Sukma NuswantaraAfiliasi tidak diketahui1
Ana RochanaPadjadjaran University1
Rachmat WiradimadjaPadjadjaran University1
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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) 
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	<dc:title xml:lang="en-US">In Silico Analysis of Catechin, Galangin, and Hesperidin as Competitors of the SARS-CoV-2 Spike Protein</dc:title>
	<dc:creator>Kusumorini, Astuti</dc:creator>
	<dc:creator>Hasna, Nisrina</dc:creator>
	<dc:creator>Suryani, Yani</dc:creator>
	<dc:creator>Taufiqurrahman4, Opik</dc:creator>
	<dc:subject xml:lang="en-US">ACE-2</dc:subject>
	<dc:subject xml:lang="en-US">COVID-19</dc:subject>
	<dc:subject xml:lang="en-US">flavonoid</dc:subject>
	<dc:subject xml:lang="en-US">molecular docking</dc:subject>
	<dc:subject xml:lang="en-US">SARS-CoV-2</dc:subject>
	<dc:description xml:lang="en-US">Currently, Covid-19 has become endemic. However, the development of Covid-19 drugs continues to be carried out to suppress the growth of the Sars-Cov-2 virus. Some compounds with antiviral activity are catechin, galangin, and hesperidin. Angiotensin-converting enzyme-2 (ACE-2) is a protein that enters viruses into the cell. Based on that, ACE-2 can be used as a primary target to suppress the development of the Sars-Cov-2 virus. This study aimed to test the catechin, galangin, and hesperidin compounds in inhibiting the SARS CoV-2 virus from attaching to ACE-2 by trying the interactions of catechin, galangin, and hesperidin compounds with ACE-2 using the in-silico method. The material used was the three-dimensional structure of the compounds catechin, galangin hesperidin, and ACE-2. The tools used were FAF-Drugs4, Discovery Studio, and Pyrex software. Low-affinity energy values (kcal/mol) indicate promising results. The results showed that the energy affinity value of catechin was -6.2 kcal/mol, galangin was -6.3 kcal/mol, and hesperidin was -8.3 kcal/mol. This value is lower than the control affinity energy (chloroquine and favipiravir), which is  -5.2 kcal/mol and -4.8 kcal/mol, respectively. Based on this, catechin, galangin, and hesperidin can be used as inhibitors/competitors for the Sars-Cov-2 to attach to ACE-2.</dc:description>
	<dc:publisher xml:lang="en-US">UIN Sunan Gunung Djati Bandung</dc:publisher>
	<dc:date>2023-05-30</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/24521</dc:identifier>
	<dc:identifier>10.15575/biodjati.v8i1.24521</dc:identifier>
	<dc:source xml:lang="en-US">Jurnal Biodjati; Vol. 8 No. 1 (2023): May; 163-171</dc:source>
	<dc:source xml:lang="id-ID">Jurnal Biodjati; Vol 8 No 1 (2023): May; 163-171</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/24521/9007</dc:relation>
	<dc:rights xml:lang="en-US">Copyright (c) 2023 Jurnal Biodjati</dc:rights>
</oai_dc:dc>