COVID-19 is a pandemic that currently occurs in almost all parts of the world, caused by a new coronavirus species that can infect humans, namely SARS-CoV-2. To date, there is no effective drug to treat COVID-19. There are studies proving that the secondary metabolites of pentacyclic triterpenes have antiviral activity, one of which is asiatic acid. The aims of this study are to obtain the affinity and interactions of asiatic acid derivative structures in inhibiting the main protease of SARS-CoV-2. The research method was molecular docking of asiatic acid and its derivatives against the main protease of SARS-CoV-2 (6LU7) consisting of ligand and receptor preparation, identification of active site, and molecular docking simulation. The results of this study indicate that asiatic acid derivative AA9 has the best affinity in inhibiting the main protease of SARS- CoV-2 with binding free energy value (∆G) of -9.90 kcal/mol, compared with favipiravir which has ∆G value of -4.58 kcal/mol. AA9 also has an interaction with the main protease of SARS- CoV-2 through hydrogen bonds with Gly143. This present study showed that asiatic acid and its derivatives have a higher binding affinities to SARS-CoV-2 main protease compared to favipiravir.


Burhan, E., Susanto, A.D., Nasution, S.A., Ginanjar, E., Pitoyo, C.W., Susilo A., Firdaus, I., Santoso, A., Juzar, D.A., Arif, S.K., Wulung, N.G.H.L., Damayanti, T., Wiyono, W.H., Prasenohadi, Alfiatin, Wahyudi, E.R., Tarigan, T.J.E., Hidayat, R., & Muchtar, F. (2020). Protokol tatalaksana COVID-19. Jakarta: PDPI, PERKI, PAPDI, PERDATIN, dan IDAI.

Dhorajiwala, T.M., Halder, S.T., & Samant, L. (2019). Comparative in silico molecular docking analysis of l-threonine-3-dehydrogenase, a protein target against african trypanosomiasis using selected phytochemicals. Journal of Applied Biotechnology Reports, 6(3), 101- 108.

Du, X., Li, Y., Xia, Y.L., Ai, S.M., Liang, J., Sang, P., Ji, X.L., and Liu, S.Q. (2016). Insights into protein– ligand interactions: mechanisms, models, and methods. International Journal of Molecular Sciences, 17(2), 144.

Hashim, P., Sidek, H., Helan, M.H., Sabery, A., Palanisamy, U.D., & Ilham, M. (2011). Triterpene composition and bioactivities of centella asiatica. Molecules, 16, 1310−1322.

Huang, C., Wang, Y., Li, X., Ren, L., Zhao, J., Hu, Y., Zhang, L., Fan, G., Xu, J., Gu, X., Cheng, Z., Yu, T., Xia, J., Wei, X., Wu, W., Xie, X., Yin, W., Li, H., Liu, M., Xiao, Y., Gao, H., Guo, L., Xie, J., Wang, G., Jiang, R., Gao, Z., Jin, Q., Wang, J., & Cao B. (2020). Clinical features of patients infected with 2019 novel coronavirus in wuhan, china. The Lancet, 395, 497-506.

Jain, A.J. and Nicholls, A. (2008). Recommendations for evaluational methods. Journal of Computer-Aided Molecular Design, 22, 133-139.

Jin, Z., Du, X., Xu, Y., Deng, Y., Liu, M., Zhao Y., Zhang, B., Li, X., Zhang, L., Peng, C., Duan, Y., Yu, J., Wang, L., Yang, K., Liu, F., Jiang, R., Yang, X., You, T., Liu, X., Yang, X., Bai, F., Liu, H., Liu, X., Guddat, L.W., Lu, W., Xiao, G., Qin, C., Shi, Z., Jiang, H., Rao, Z., & Yang, H. (2020). Structure of Mpro from COVID-19 virus and discovery of its inhibitors. Nature, 582, pages 289–293

Kamali, A. and Holodniy, M. (2013). Influenza treatment and prophylaxis with neuraminidase inhibitors: a review. Infect Drug Resist, 6, 187-198.

Musfiroh, I., Puspitasari, I., Muhtadi, A., Kartasasmita, R.E., & Surantaatmadja, S.I. (2014). Acetylation of asiatic acid and its hepatotoxicity prediction. ICCST. 3, 45-48.

Ozdemir, O. (2020). Coronavirus disease 2019 (COVID-19): diagnosis and management (narrative review). Erciyes Medical Journal, 42(3), 00–00.

WHO. (2020). Naming the coronavirus disease (COVID-19) and the virus that causes it. Available at: https://www.who.int/emergencies/diseases/novel- coronavirus-2019/technical-guidance/naming-the- coronavirus-disease-(covid-2019)-and-the-virus-that- causes-it

Wozniak, L., Skapska, S., & Marszalek, K. (2015). Ursolic acid—a pentacyclic triterpenoid with a wide spectrum of pharmacological activities. Molecules, 20, 20614-20641.

Yang, L., Wen, K.S., Ruan, X., Zhao, Y.X., Wei, F., & Wang, Q. (2018). Response of plant secondary metabolites to environmental factors. Molecules, 23(4), 1-26.

Zhao, C., Xu, J., Zhang, Y., Zhao, L., & Feng, B. (2014). Inhibition of human enterovirus 71 replication by pentacyclic triterpenes and their novel synthetic derivatives. Chemical and Pharmaceutical Bulletin, 62(8), 764-771.

Zhu, N., Zhang, D., Wang, W., Li, X., Yang, B., Song, J., Zhao, X., H, B., S, W., Lu, R., Niu, P., Zhan, F., Ma, X., Wang, D., Xu, W., Wu, G., Phil, G.F.G.D., & Tan, W. (2020). A novel coronavirus from patients with pneumonia in china, 2019. The New England Journal of Medicine, 382, 727-733.



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