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


Astuti Kusumorini(1*), Nisrina Hasna(2), Yani Suryani(3), Opik Taufiqurrahman4(4)

(1) Department of Biology, Faculty of Science and Technology UIN Sunan Gunung Djati, Bandung 40614, Indonesia
(2) Department of Biology, Faculty of Science and Technology UIN Sunan Gunung Djati, Bandung 40614, Indonesia
(3) Department of Biology, Faculty of Science and Technology UIN Sunan Gunung Djati, Bandung 40614, Indonesia
(4) Department of Biology, Faculty of Science and Technology UIN Sunan Gunung Djati, Bandung 40614,  
(*) Corresponding Author

Abstract


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.


Keywords


ACE-2, COVID-19, flavonoid, molecular docking, SARS-CoV-2

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DOI: https://doi.org/10.15575/biodjati.v8i1.24521

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