{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,21]],"date-time":"2026-02-21T05:16:42Z","timestamp":1771651002347,"version":"3.50.1"},"update-to":[{"DOI":"10.12688\/f1000research.126227.1","type":"new_version","label":"New version","source":"publisher","updated":{"date-parts":[[2023,3,27]],"date-time":"2023-03-27T00:00:00Z","timestamp":1679875200000}},{"DOI":"10.12688\/f1000research.126227.2","type":"new_version","label":"New version","source":"publisher","updated":{"date-parts":[[2023,3,27]],"date-time":"2023-03-27T00:00:00Z","timestamp":1679875200000}}],"reference-count":66,"publisher":"F1000 Research Ltd","license":[{"start":{"date-parts":[[2023,3,27]],"date-time":"2023-03-27T00:00:00Z","timestamp":1679875200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"The Royal Patronage of Her Royal Highness Princess Maha Chakri Sirindhorn - Botanical Garden of Walailak University","award":["WUBG 031-2565, WU-SAH 0005\/2023"],"award-info":[{"award-number":["WUBG 031-2565, WU-SAH 0005\/2023"]}]}],"content-domain":{"domain":["f1000research.com"],"crossmark-restriction":false},"short-container-title":["F1000Res"],"abstract":"<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 the anti-<ns3:italic>Acanthamoeba<\/ns3:italic> activity of ethanolic extracts of Propolis samples from Iran. The interactions of the compounds and essential proteins of <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) of Propolis extract against <ns3:italic>Acanthamoeba<\/ns3:italic> trophozoites and cysts was determined <ns3:italic>in vitro<\/ns3: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 <ns3:italic>A. castellanii<\/ns3: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.<\/ns3:p><ns3:p> <ns3:bold>Results<\/ns3:bold><ns3:bold>: <\/ns3:bold>The minimal inhibitory concentrations (MICs) 62.5 and 125 \u00b5g\/mL of the most active Propolis extract were assessed in trophozoites stage of <ns3:italic>Acanthamoeba<\/ns3:italic> <ns3:italic>castellanii<\/ns3: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 <ns3:italic>A<\/ns3:italic>. <ns3:italic>castellanii<\/ns3:italic> Sir2 family protein (AcSir2), an encystation protein of high relevance for this process in <ns3:italic>Acanthamoeba<\/ns3:italic>.<\/ns3:p><ns3:p> <ns3:bold>Conclusions<\/ns3:bold><ns3:bold>: <\/ns3:bold>The results provided a candidate for the development of therapeutic drugs against <ns3:italic>Acanthamoeba<\/ns3:italic> infection. <ns3:italic>In vivo<\/ns3:italic> experiments and clinical trials are necessary to support this claim.<\/ns3:p>","DOI":"10.12688\/f1000research.126227.3","type":"journal-article","created":{"date-parts":[[2023,3,27]],"date-time":"2023-03-27T13:45:08Z","timestamp":1679924708000},"page":"1274","update-policy":"https:\/\/doi.org\/10.12688\/f1000research.crossmark-policy","source":"Crossref","is-referenced-by-count":9,"title":["Targeting Acanthamoeba proteins interaction 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status","group":{"name":"current-referee-status","label":"Current Referee Status"}},{"value":"10.5256\/f1000research.143744.r162656, Akm Moyeenul Huq, School of Medicine, Department of Pharmacy, University of Asia Pacific, Dhaka, 21 Feb 2023, version 2, indexed","URL":"https:\/\/f1000research.com\/articles\/11-1274\/v2#referee-response-162656","order":0,"name":"referee-response-162656","label":"Referee Report","group":{"name":"article-reports","label":"Article Reports"}},{"value":"10.5256\/f1000research.143744.r162657, Ascel Samba-Louaka, Laboratoire Ecologie et Biologie des Interactions, UMR CNRS, Universit\u00e9 de Poitiers, Poitiers, 14 Mar 2023, version 2, indexed","URL":"https:\/\/f1000research.com\/articles\/11-1274\/v2#referee-response-162657","order":1,"name":"referee-response-162657","label":"Referee Report","group":{"name":"article-reports","label":"Article Reports"}},{"value":"This research was financially supported by the Royal Patronage of Her Royal Highness Princess Maha Chakri Sirindhorn - Botanical Garden of Walailak University, Nakhon Si Thammarat, under the project entitled: Medicinal Thai Native Plants against Acanthamoeba triangularis as a serious eye infection (WUBG 031-2565) and WU-SAH 0005\/2023; The Nissapatorn V. Fund. Project CICECO-Aveiro Institute of Materials, UIDB\/50011\/2020, UIDP\/50011\/2020, and LA\/P\/0006\/2020, financed by national funds through the FCT\/MEC (PIDDAC); The De Lourdes Pereira M. Fund. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.","order":2,"name":"grant-information","label":"Grant Information"},{"value":"This is an open access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.","order":0,"name":"copyright-info","label":"Copyright"}]}}