Potential Phytochemical Inhibitor from Allium cepa for the Medication of COVID-19 using In-Silico Approach
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Published:
Apr 1, 2021
Keywords:
Allium cepa, covid-19, in-silico, molecular docking, STITCH.
Main Article Content
Abstract
Infection of extreme acute respiratory syndrome coronavirus 2 triggers Coronavirus disease 2019 (COVID-19). COVID-19 has adverse consequences on persons and is getting worse in all nations. The aim of this research is to investigate the development of in-silico approach of phytochemical inhibitor used to fight COVID-19 pathway inhibition. In medicinal plants, there are many phytochemicals, however the bioactive mechanism remains uncertain. In-silico experiments offer additional evidence to confirm the inhibition of medicinal plants. Molecular docking was used to evaluate phytoconstituents from Allium cepa as COVID-19 M-pro inhibitor, compared to remdesivir (standard drug). STITCH database used to predict the interaction network process of the most potential compound. The most potential compound was oleanolic acid. Oleanolic acid with a docking score of -9.20 kcal/mol was reported as anti-COVID-19 activity. This docking score was higher than remdesivir. Oleanolic acid interacted with GLU166, CYS44, HIS41, and THR25 via the hydrogen bond. From STITCH Database, oleanolic acid interact with CASP-9, XIAP, CASP-3 signalling pathway. Oleanolic acid from Allium cepa has been reported as a possible COVID-19 M-pro inhibitor and should be studied in future studies. The experiment indicates that phytochemical inhibitor can be helpful in the medication of COVID-19.
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Potential Phytochemical Inhibitor from Allium cepa for the Medication of COVID-19 using In-Silico Approach. (2021). ALKIMIA : Jurnal Ilmu Kimia Dan Terapan, 4(2), 80-87. https://doi.org/10.19109/alkimia.v4i2.7459
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How to Cite
Potential Phytochemical Inhibitor from Allium cepa for the Medication of COVID-19 using In-Silico Approach. (2021). ALKIMIA : Jurnal Ilmu Kimia Dan Terapan, 4(2), 80-87. https://doi.org/10.19109/alkimia.v4i2.7459
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Medicine on treatment of COVID-19,” Chinese Med. (United Kingdom), 15, 1, 1–6 (2020).
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[22] X. Chu et al., “Tomatidine suppresses inflammation in primary articular chondro- cytes and attenuates cartilage degradation in osteoarthritic rats,” Aging (Albany. NY), 12, 1–14 (2020).
[23] A. R. Zuo et al., “The antityrosinase and antioxidant activities of flavonoids dominated by the number and location of phenolic hydroxyl groups,” Chinese Med. (United Kingdom), 13, 1, 1–12 (2018).
[24] R. Sathishkumar and R. Tharani, “In silico determination of efficiency of plant secondary metabolites to eradicate trachoma - A blinding keratoconjuctivitis disease,” J. Appl. Pharm. Sci., 7, 9, 116–121 (2017).
[25] X. Ji and Z. Li, “Medicinal chemistry strategies toward host targeting antiviral agents,” Med. Res. Rev.,1–39 (2020).
[26] J. Stebbing et al., “COVID-19 : combining antiviral and anti-inflammatory treatments,” Lancet Infect.Dis., 20, 4, 400–402 (2020).
[27] F. Yi, X. lei Tan, X. Yan, and H. bo Liu, “In silico profiling for secondary metabolites from Lepidium meyenii (maca) by the pharmacophore and ligand-shape-based joint approach,” Chinese Med. (United Kingdom), 11, 1, 1–17 (2016).
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