Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects

• DOI: 10.12688/f1000research.126227.3
• Publication Date: 2023-03-27T13:45:08Z
• Authors: Imran Sama-ae; Suthinee Sangkanu; Abolghasem Siyada...; Roghayeh Norouzi; Julalak Chuprom; Watcharapong Mits...; Sirirat Surinkaew; Rachasak Boonhok; Alok K. Paul; Tooba Mahboob; Najme Sadat Abtahi; Tajudeen O. Jimoh; Sónia M.R. Oliveira; Madhu Gupta; Chea Sin; Maria de Lourdes ...; Polrat Wilairatana; Christophe Wiart; Mohammed Rahmatullah; Karma G. Dolma; Veeranoot Nissapa...
• Keywords: Propolis

<ns3:p><ns3:bold>Background</ns3:bold><ns3:bold>:</ns3: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 anti-<ns3:italic>Acanthamoeba</ns3:italic> activity ethanolic extracts samples from Iran. interactions compounds and essential proteins <ns3:italic>Acanthamoeba</ns3:italic> were also visualized through docking simulation.</ns3:p><ns3:p> <ns3:bold>Methods: </ns3:bold>The minimal inhibitory concentrations (MICs) extract against trophozoites cysts determined <ns3:italic>in vitro</ns3:italic>. In addition, two-fold dilutions each agents tested for encystment, excystment adhesion inhibitions. Three major such as chrysin, tectochrysin pinocembrin have been selected molecular approach predict that might be responsible inhibitions <ns3:italic>A. castellanii</ns3:italic>. Furthermore, confirm results, dynamics (MD) simulations carried out most promising two ligand-pocket complexes studies.</ns3:p><ns3:p> <ns3:bold>Results</ns3:bold><ns3:bold>: 62.5 125 µg/mL active assessed stage <ns3:italic>castellanii</ns3:italic> ATCC30010 ATCC50739, respectively. At lower than their MICs values (1/16 MIC), revealed inhibition encystation. However, at 1/2 MIC, it showed potential excystation anti-adhesion. dynamic simulation capability Pinocembrin form hydrogen bonds with <ns3:italic>A</ns3:italic>. Sir2 family protein (AcSir2), an encystation high relevance this process <ns3:italic>Acanthamoeba</ns3:italic>.</ns3:p><ns3:p> <ns3:bold>Conclusions</ns3:bold><ns3:bold>: results provided candidate development therapeutic drugs infection. <ns3:italic>In vivo</ns3:italic> experiments clinical trials are necessary support claim.</ns3:p>