T.E. Tallei, S.G. Tumilaar, L.T. Lombogia, A.A. Adam, S.A. Sakib, T.B. Emran, R. Idroes
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. © Published under licence by IOP Publishing Ltd.
Department of Biology, Faculty of Mathematics and Natural Sciences, Sam Ratulangi University, Manado, 95115, Indonesia; Pharmacy Study Program, Faculty of Mathematics and Natural Sciences, Sam Ratulangi University, Manado, 95115, Indonesia; Dentistry Study Program, Faculty of Medicine, Sam Ratulangi University, Manado, 95115, Indonesia; Department of Theoretical and Computational Chemistry, University of Dhaka, Dhaka, 1000, Bangladesh; Department of Pharmacy, Bgc Trust University Bangladesh, Chittagong, 4381, Bangladesh; Department of Pharmacy, Faculty of Mathematics and Natural Sciences, Universitas Syiah Kuala, Banda Aceh, 23111, Indonesia
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