POTENSI DAUN TEH HIJAU (Camellia sinensis) SEBAGAI INHIBITOR MAIN PROTEASE (Mpro) COVID-19: SEBUAH STUDI MOLECULAR DOCKINGPOTENSI DAUN TEH HIJAU (Camellia sinensis) SEBAGAI INHIBITOR MAIN PROTEASE (Mpro) COVID-19: SEBUAH STUDI MOLECULAR DOCKING

  • Haidar Ali Hamzah Universitas Sriwijaya
  • Junoretta Haviva Ernanto Universitas Sriwijaya
  • Putri Mahirah Afladhanti Universitas Sriwijaya
  • Theodorus Theodorus Universitas Sriwijaya
Keywords: Camellia sinensis, derivat catechin, inhibitor main protease COVID-19, molecular docking

Abstract

Green tea is an herbal plant that has active compounds including anti-inflammatory, antioxidant, anti-allergic, and antiviral compounds. A previous study, flavonoid compound in tea leaves has been proven as antiviral. The development of effective antiviral drugs against COVID-19 remains a challenge for researchers across the world. A previous study investigated the role of the main protease enzyme (Mpro) which is useful in the viral life cycle as a promising drug target. This study aims to know the potential compounds of green tea leaves as a COVID-19 Mpro inhibitor using molecular docking. 12 compounds and lopinavir were used. Lipinski analysis was carried out to assess potential compounds as a drug. Docking was carried out by Autodock Tools 1.5.6 and Autodock Vina. The visualization was carried out by Discovery Studio v16. The results showed that all compounds compiled the criteria as a drug based on Lipinski rules. Catechin and epicatechin have the same energy bond as lopinavir with a binding energy of  -7.1 kcal/mol. Catechin gallate and epicatechin gallate have the strongest energy bond with a binding energy of -9.0 and -8.2 kcal/mol. All compounds bind in the active site of the COVID-19 Mpro so they are competitive inhibitor. Catechin gallate is the strongest inhibitors.

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Published
2022-10-31
How to Cite
Hamzah, H., Ernanto, J., Afladhanti, P., & Theodorus, T. (2022). POTENSI DAUN TEH HIJAU (Camellia sinensis) SEBAGAI INHIBITOR MAIN PROTEASE (Mpro) COVID-19: SEBUAH STUDI MOLECULAR DOCKINGPOTENSI DAUN TEH HIJAU (Camellia sinensis) SEBAGAI INHIBITOR MAIN PROTEASE (Mpro) COVID-19: SEBUAH STUDI MOLECULAR DOCKING. Jurnal Ilmiah Ibnu Sina, 7(2), 212-222. https://doi.org/10.36387/jiis.v7i2.789
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