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

Astuti Kusumorini, Nisrina Hasna, Yani Suryani, Opik Taufiqurrahman4

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

Full Text:

PDF

References


Adriani. (2018). Prediksi Senyawa Bioaktif dari Tanaman Sanrego (Lunasia amara Blanco) Sebagai Inhibitor Enzim Siklooksigenase-2 (COX-2) melalui Pendekatan Molecular Docking. Jurnal Ilmiah Pena, Sains Dan Ilmu Pendidikan, 1, 6–11.

Atanas, G., Atanasov, Sergey, B., Zotchev, Verena, M. & Dirsch. (2021). Natural Products in Drug Discovery: Advances and Opportunities The International Natural Product Sciences Taskforce and Claudiu T. Supuran. Nature Reviews, Drug Discovery Reviews, 20. DOI: 10.1038/s41573-020-00114-z.

Basu, A., Sarkar, A. & Maulik, U. (2020). Molecular Docking Study of Potential Phytochemicals and Their Effects on The Complex of SARS-CoV2 Spike Protein and Human ACE2. Scientific Reports, 10(1), 17699. DOI: 10.1038/s41598-020-74715-4.

Galea, S., Merchant, R. M. & Lurie, N. (2020). The Mental Health Consequences of COVID-19 and Physical Distancing. JAMA Intern Med, 180(6):817-818. DOI: 10.1001/jamainternmed.2020.1562. Grzanna, R., Lindmark, L. & Frondoza, C. G. (2005). Ginger—an Herbal Medicinal Product with Broad Anti-inflammatory Actions. Journal of Medicinal Food, 8(2), 125-132. DOI: 10.1089/jmf.2005.8.125.

Guo, Y. R., Cao, Q. D., Hong, Z. S., Tan, Y. Y., Chen, S. D., Jin, H. J. & Yan, Y. (2020). The Origin, Transmission and Clinical Therapies on Coronavirus Disease 2019 (COVID-19) Outbreak–an Update on The Status. Military Medical Research, 7, 1-10. DOI: 10.1186/s40779-020-00240-0.

Indonesian Ministry of Health. (2020). Situasi Terkini Perkembangan Novel Coronavirus (COVID-19). Retrived from https://www.kemkes.go.id/folder/structure-info-terkini.html.

Jin Y, Yang, P, Wang L, Gao Z, Lv ia, Cui Z, Wang T, Wang D. & Wang L. (2022). Galangin as A Direct Inhibitor of vWbp Protects Mice from Staphylococcus aureus-induced Pneumonia. Journal of Cellular and Molecular Medicine, 26(3), 828-839. DOI: 10.1111/jcmm.17129.

Lipinski, Christopher. (2004). Lipinski, C.A. Lead- and Drug-like Compounds: the Rule-of-five Revolution. Drug Discovery Today: Technologies. 1. 337-341. DOI: 10.1016/j.ddtec.2004.11.007.

Discovery Today: Technologies, Vol. 1 No. 4, pp. 337–41.

Muchtaridi M., Fauzi, M., Ikram, N. K. K., Gazzali, A. M. & Wahab, H. A. (2020) Natural Flavonoids as Potential Angiotensin-Converting Enzyme 2 Inhibitors for Anti-SARS-CoV-2 Molecules. 2020 Sep; 25(17), 3980. DOI: 10.3390/molecules25173980.

Novian, D. R. (2019). Eksplorasi Potensi Anti Malaria Senyawa Bioaktif Moringa oleifera dengan Pendekatan In Silico. Jurnal Farmasi, 11(02), 124–130. http://lsp.nwu.edu.cn/tcmsp.php

Pratama, R. (2020). Studi in Silico Potensi Senyawa Turunan Kortikosteroid sebagai Obat COVID-19. Jurnal Veteriner Nusantara, 3(2), 176-186.

Rasool, N., Ashraf, A., Waseem, M., Hussain, W. & Mahmood, S. (2019). Computational Exploration of Antiviral Activity of Phytochemicals Against NS2B/NS3 Proteases from Dengue Virus. Turkish Journal of Biochemistry, 44(3), 261-277. DOI: 10.1515/tjb-2018-0002.

Sohrabi, C., Alsafi, Z., O'neill, N., Khan, M., Kerwan, A., Al-Jabir, A., Agha, R. Su L, Ma X, Yu H, Zhang Z, Bian P, Han Y, Sun J, Liu Y, Yang C, Geng J, Zhang Z. & Gai Z. (2020). The Different Clinical Characteristics of Coronavirus Disease Cases Between Children and Their Families in China–the Character of Children with COVID-19. Emerging Microbes & infections, 9(1), 707-713. DOI: 10.1080%2F22221751.2020.1744483.

Syahputra, G. (2015). Peran Bioinformatika dalam Desain Kandidat Molekul Obat. Biotrends, 6(1), 26-27.

Tapas, A. R., Sakarkar, D. M. & Kakde, R. B. (2008). Flavonoids as Nutraceuticals: A Review. Tropical Journal of Pharmaceutical Research, 7(3), 1089-1099. DOI: 10.4314/tjpr.v7i3.14693.

Wang, M., Cao, R., Zhang, L., Yang, X., Liu, J., Xu, M, & Xiao, G. (2020). Remdesivir and Chloroquine Effectively Inhibit the Recently Emerged Novel Coronavirus (2019-nCoV) in Vitro. Cell Research, 30(3), 269-271. DOI: 10.1038/s41422-020-0282-0.

Widiasari, S. (2018). Mekanisme Inhibisi Angiotensin Converting Enzym oleh Flavonoid pada Hipertensi. Collaborative Medical Journal (CMJ), 1(2), 30-44.




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

Refbacks

  • There are currently no refbacks.


Copyright (c) 2023 Jurnal Biodjati

License URL: https://creativecommons.org/licenses/by-nc-nd/4.0/

Indexing By :

      

      

Creative Commons License
This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

 

View My Stats
slot https://bursaikan.kkp.go.id/obc/ https://riph.pertanian.go.id/liquid/ slot gacor https://riph.pertanian.go.id/bl/ judi bola https://sievo.kemdikbud.go.id/infy/ situs toto https://sievo.kemdikbud.go.id/jb/ https://www.assets.rpg.co.id/ https://www.linkandthink.org/ https://sievo.kemdikbud.go.id/relx/ Slot Gacor https://www.theyashotel.com/ https://elearning.itbwigalumajang.ac.id/ https://e-absensi.singkawangkota.go.id/ https://bapeten.go.id/upload/ https://sentraki.itbwigalumajang.ac.id/ https://lppm.itbwigalumajang.ac.id/ https://bkombandung.kemkes.go.id/ slot gacor hari ini https://sinovik.kemkes.go.id/assets/run/ https://pdcproductions.com/ https://kkp.umt.ac.id/ https://csirt.sulbarprov.go.id/uploads/ https://sievo.kemdikbud.go.id/ https://sievo.kemdikbud.go.id/thai/