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• W4360989841 abstract "<ns4:p><ns4:bold>Background</ns4:bold><ns4:bold>:</ns4:bold> Propolis is a natural resinous mixture produced by bees. It provides beneficial effects on human health in the treatment/management of many diseases. The present study was performed to demonstrate the anti-<ns4:italic>Acanthamoeba</ns4:italic> activity of ethanolic extracts of Propolis samples from Iran. The interactions of the compounds and essential proteins of <ns4:italic>Acanthamoeba</ns4:italic> were also visualized through docking simulation.</ns4:p><ns4:p> <ns4:bold>Methods: </ns4:bold>The minimal inhibitory concentrations (MICs) of Propolis extract against <ns4:italic>Acanthamoeba</ns4:italic> trophozoites and cysts was determined <ns4:italic>in vitro</ns4:italic>. In addition, two-fold dilutions of each of agents were tested for encystment, excystment and adhesion inhibitions. Three major compounds of Propolis extract such as chrysin, tectochrysin and pinocembrin have been selected in molecular docking approach to predict the compounds that might be responsible for encystment, excystment and adhesion inhibitions of <ns4:italic>A. castellanii</ns4:italic>. Furthermore, to confirm the docking results, molecular dynamics (MD) simulations were also carried out for the most promising two ligand-pocket complexes from docking studies.</ns4:p><ns4:p> <ns4:bold>Results</ns4:bold><ns4:bold>: </ns4:bold>The minimal inhibitory concentrations (MICs) 62.5 and 125 µg/mL of the most active Propolis extract were assessed in trophozoites stage of <ns4:italic>Acanthamoeba</ns4:italic> <ns4:italic>castellanii</ns4:italic> ATCC30010 and ATCC50739, respectively. At concentrations lower than their MICs values (1/16 MIC), Propolis extract revealed inhibition of encystation. However, at 1/2 MIC, it showed a potential inhibition of excystation and anti-adhesion. The molecular docking and dynamic simulation revealed the potential capability of Pinocembrin to form hydrogen bonds with <ns4:italic>A</ns4:italic>. <ns4:italic>castellanii</ns4:italic> Sir2 family protein (AcSir2), an encystation protein of high relevance for this process in <ns4:italic>Acanthamoeba</ns4:italic>.</ns4:p><ns4:p> <ns4:bold>Conclusions</ns4:bold><ns4:bold>: </ns4:bold>The results provided a candidate for the development of therapeutic drugs against <ns4:italic>Acanthamoeba</ns4:italic> infection. <ns4:italic>In vivo</ns4:italic> experiments and clinical trials are necessary to support this claim.</ns4:p>" @default.
• W4360989841 created "2023-03-30" @default.
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• W4360989841 date "2023-03-27" @default.
• W4360989841 modified "2023-10-18" @default.
• W4360989841 title "Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects" @default.
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• W4360989841 doi "https://doi.org/10.12688/f1000research.126227.3" @default.
• W4360989841 hasPublicationYear "2023" @default.
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