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Potential of betacyanin as inhibitor of SARS-CoV-2 revealed by molecular docking study

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Published under licence by IOP Publishing Ltd
, , Citation T E Tallei et al 2021 IOP Conf. Ser.: Earth Environ. Sci. 711 012028 DOI 10.1088/1755-1315/711/1/012028

1755-1315/711/1/012028

Abstract

Covid-19 is a global pandemic where an effective drug has yet to be found. A new coronavirus species, SARS-CoV-2 causes this disease. Several studies have been conducted on medicinal plant-based lead compounds to find antidotes for this virus. One of the fruits that with a high betacyanin content is super red dragon fruit produced by plant Hylocereus costaricensis. Betacyanin, besides having anti-inflammatory and immunomodulatory activities, also has antiviral activity. Therefore, this study aimed to evaluate betacyanin's interaction with several SARS-CoV-2 receptors by observing its binding affinity and compared it with the nelfinavir and hydroxychloroquine sulfate that have been recommended for treating COVID-19. This research was an in silico study using computer software to assess binding affinity simulations based on molecular docking. The results of this study indicated that betacyanin had a good affinity with several receptors so that it has the potential to be developed as a lead compound to overcome COVID-19. Based on its binding affinity value, betacyanin's ability was comparable to nelfinavir and hydroxychloroquine sulfate recommended by WHO as a therapeutic agent for COVID-19.

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