Targeting CoV-2 Spike RBD and ACE-2 Interaction with Flavonoids of Anatolian Propolis by in silico and in vitro Studies in terms of possible COVID-19 therapeutics
Research conducted at Blacksea University in 2020 investigated the inhibitory effect of Anatolian propolis against SARS-coronavirus-2 (SARS-CoV-2) in vitro and in silico. Propolis samples were rich in caffeic acid, p-coumaric acid, ferulic acid, t-cinnamic acid, hesperetin, chrysin, pinocembrin, and caffeic acid phenethyl ester (CAPE). The ethanolic propolis extracts were tested against the spike S1 protein (SARS-CoV-2): ACE-2 interaction in an in vitro study. The binding energy values of these polyphenols to the SARS-CoV-2 spike and ACE-2 protein calculated with a molecular docking study showed pinocembrin to be the highest in both receptors, followed by chrysin, CAPE, and hesperetin. Based on the in silico modeling and ADME (absorption, distribution, metabolism, and excretion) behaviors of the eight polyphenols, the potential ability of propolis to act effectively as a novel drug has been demonstrated. The authors suggested that propolis has a high inhibitory potential against the Covid-19 virus.* *Guler, H.I., Fulya, A.Y., Zehra, C.A.N., Yakup, K.A.R.A., Belduz, A.O., Canakci, S. and Kolayli, S., 2021. Targeting CoV-2 Spike RBD and ACE-2 Interaction with Flavonoids of Anatolian Propolis by in silico and in vitro Studies in terms of possible COVID-19 therapeutics.2021. Turk J Biol. 45: 530-548. doi:10.3906/biy-2104-5.