Insilico study of Phyllanthus niruri potency as an antiviral Sars Cov 2: Omicron and delta variants : Analisis Potensi Phyllanthus niruri sebagai antivirus Sars Cov 2: varian Omicron dan delta secara insilico
Copyright (c) 2022 Miftahul Mushlih , Andika Aliviameita, Puspitasari, Nukayo Firmansyah, Pratasya Liyaajul Murosidah
This work is licensed under a Creative Commons Attribution 4.0 International License.
Corona Virus Disease 19 (Covid 19) caused by infection with severe acute respiratory syndrome coronavirus 2 (Sars Cov-2). In its development, this virus has several variants due to mutations, including the Omicron (B.1.1.529) and delta (B.1.617.2) variants of concern, one of the keys to infection with this virus is the angiotensin receptor enzyme 2 (ACE-2). This study aimed to explore the potential of Phyllanthus niruri plant insilico. The active plant components were explored from the KNackSAcK family, then selected using Lipinski criteria using SWISS ADME, docking using HEX 8.0. The results of the analysis showed that 5 of the 21 compounds met Lipinski's criteria, i.e Hypophyllanthin, Hinokinin, 4-Methoxynorsecurinine, Nirtetralin, & Lintetralin. Nirtetralin & 4-Methoxynorsecurinine were able to change the binding conformation of RBD-ACE2 in the Omicron variant, while Hinokinin was able to change the binding conformation of RBD-ACE2 in the delta variant. These results were different from the first discovered sars cov 2, in which Hinokinin, 4-Methoxynorsecurinine, & Nirtetralin were able to change the conformation of RBD-ACE2.
Bassani, D. et al. (2022) ‘Omicron Variant of SARS-CoV-2 Virus : In Silico Evaluation of the Possible Impact on People Affected by Diabetes Mellitus’, 13(March), pp. 1–8. doi: 10.3389/fendo.2022.847993.
BPOM (2020) Pedoman Penggunaan Herbal dan Suplemen Kesehatan dalam Menghadapi COVID-19. 1st edn.
Cava, C., Bertoli, G. and Castiglioni, I. (2020) ‘In Silico Discovery of Candidate Drugs against Covid-19’, pp. 1–14.
Daina, A., Michielin, O. and Zoete, V. (2017) ‘SwissADME : a free web tool to evaluate pharmacokinetics , drug- likeness and medicinal chemistry friendliness of small molecules’, Nature Publishing Group, (October 2016), pp. 1–13. doi: 10.1038/srep42717.
Dallakyan, S. and Olson, A. J. (2015) ‘Chapter 19 Small-Molecule Library Screening by Docking with PyRx’, 1263, pp. 243–250. doi: 10.1007/978-1-4939-2269-7.
Gorbalenya, A. E. et al. (2020) ‘The species Severe acute respiratory syndrome-related coronavirus: classifying 2019-nCoV and naming it SARS-CoV-2’, Nature Microbiology, 5(4), pp. 536–544. doi: 10.1038/s41564-020-0695-z.
Melgaço, J. G. et al. (2020) ‘Review Article Cellular and Molecular Immunology Approaches for the Development of Immunotherapies against the New Coronavirus ( SARS-CoV-2 ): Challenges to Near-Future Breakthroughs’, 2020.
Narendra, K. et al. (2012) ‘Phyllanthus niruri : A Review on its Ethno Botanical, Phytochemical and Pharmacological Profile’, Journal of Pharmacy Research, 5(9), pp. 4681–4691.
Singh, A. K. et al. (2020) ‘Diabetes in COVID-19: Prevalence, pathophysiology, prognosis and practical considerations’, Diabetes and Metabolic Syndrome: Clinical Research and Reviews, 14(4), pp. 303–310. doi: 10.1016/j.dsx.2020.04.004.
Syahputra, G., Ambarsari L and Sumaryada T (2014) ‘Simulasi docking kurkumin enol, bisdemetoksikurkumin dan analognya sebagai inhibitor enzim12-lipoksigenase’, Biofisika, 10(1), pp. 55–67.
V’kovski, P. et al. (2021) ‘Coronavirus biology and replication: implications for SARS-CoV-2’, Nature Reviews Microbiology, 19(3), pp. 155–170. doi: 10.1038/s41579-020-00468-6.
Yalcin, H. C. et al. (2021) ‘Do changes in ace-2 expression affect sars-cov-2 virulence and related complications: A closer look into membrane-bound and soluble forms’, International Journal of Molecular Sciences, 22(13). doi: 10.3390/ijms22136703.