Cover Image

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

Background: 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-Acanthamoeba activity of ethanolic extracts of Propolis samples from Iran. The int...

Full description

Saved in:
Bibliographic Details
Main Authors: Imran Sama-ae, Suthinee Sangkanu, Abolghasem Siyadatpanah, Roghayeh Norouzi, Julalak Chuprom, Watcharapong Mitsuwan, 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 Pereira, Polrat Wilairatana, Christophe Patrice Andie Wiart, Mohammed Rahmatullah, Karma G. Dolma, Veeranoot Nissapatorn
Format: Article
Language:English
English
Published: F1000 Research Ltd 2023
Subjects:
QL360-599.82 Invertebrates
RM300-666 Drugs and their actions
Online Access:https://eprints.ums.edu.my/id/eprint/35802/1/ABSTRACT.pdf
https://eprints.ums.edu.my/id/eprint/35802/2/FULL%20TEXT.pdf
https://eprints.ums.edu.my/id/eprint/35802/
https://doi.org/10.12688/f1000research.126227.3
Tags: Add Tag
No Tags, Be the first to tag this record!
id my.ums.eprints.35802
record_format eprints
spelling my.ums.eprints.358022023-07-07T06:36:12Z https://eprints.ums.edu.my/id/eprint/35802/ Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects Imran Sama-ae Suthinee Sangkanu Abolghasem Siyadatpanah Roghayeh Norouzi Julalak Chuprom Watcharapong Mitsuwan 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 Pereira Polrat Wilairatana Christophe Patrice Andie Wiart Mohammed Rahmatullah Karma G. Dolma Veeranoot Nissapatorn QL360-599.82 Invertebrates RM300-666 Drugs and their actions Background: 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-Acanthamoeba activity of ethanolic extracts of Propolis samples from Iran. The interactions of the compounds and essential proteins of Acanthamoeba were also visualized through docking simulation. Methods: The minimal inhibitory concentrations (MICs) of Propolis extract against Acanthamoeba trophozoites and cysts was determined in vitro. 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 A. castellanii. 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. Results: The minimal inhibitory concentrations (MICs) 62.5 and 125 µg/mL of the most active Propolis extract were assessed in trophozoites stage of Acanthamoeba castellanii 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 A. castellanii Sir2 family protein (AcSir2), an encystation protein of high relevance for this process in Acanthamoeba. Conclusions: The results provided a candidate for the development of therapeutic drugs against Acanthamoeba infection. In vivo experiments and clinical trials are necessary to support this claim. F1000 Research Ltd 2023-05-23 Article NonPeerReviewed text en https://eprints.ums.edu.my/id/eprint/35802/1/ABSTRACT.pdf text en https://eprints.ums.edu.my/id/eprint/35802/2/FULL%20TEXT.pdf Imran Sama-ae and Suthinee Sangkanu and Abolghasem Siyadatpanah and Roghayeh Norouzi and Julalak Chuprom and Watcharapong Mitsuwan and Sirirat Surinkaew and Rachasak Boonhok and Alok K. Paul and Tooba Mahboob and Najme Sadat Abtahi and Tajudeen O. Jimoh and Sónia M.R. Oliveira and Madhu Gupta and Chea Sin and Maria de Lourdes Pereira and Polrat Wilairatana and Christophe Patrice Andie Wiart and Mohammed Rahmatullah and Karma G. Dolma and Veeranoot Nissapatorn (2023) Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects. F1000Research, 11 (1274). pp. 1-29. ISSN 2046-1402 https://doi.org/10.12688/f1000research.126227.3
institution Universiti Malaysia Sabah
building UMS Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Sabah
content_source UMS Institutional Repository
url_provider http://eprints.ums.edu.my/
language English
English
topic QL360-599.82 Invertebrates
RM300-666 Drugs and their actions
spellingShingle QL360-599.82 Invertebrates
RM300-666 Drugs and their actions
Imran Sama-ae
Suthinee Sangkanu
Abolghasem Siyadatpanah
Roghayeh Norouzi
Julalak Chuprom
Watcharapong Mitsuwan
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 Pereira
Polrat Wilairatana
Christophe Patrice Andie Wiart
Mohammed Rahmatullah
Karma G. Dolma
Veeranoot Nissapatorn
Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects
description Background: 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-Acanthamoeba activity of ethanolic extracts of Propolis samples from Iran. The interactions of the compounds and essential proteins of Acanthamoeba were also visualized through docking simulation. Methods: The minimal inhibitory concentrations (MICs) of Propolis extract against Acanthamoeba trophozoites and cysts was determined in vitro. 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 A. castellanii. 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. Results: The minimal inhibitory concentrations (MICs) 62.5 and 125 µg/mL of the most active Propolis extract were assessed in trophozoites stage of Acanthamoeba castellanii 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 A. castellanii Sir2 family protein (AcSir2), an encystation protein of high relevance for this process in Acanthamoeba. Conclusions: The results provided a candidate for the development of therapeutic drugs against Acanthamoeba infection. In vivo experiments and clinical trials are necessary to support this claim.
format Article
author Imran Sama-ae
Suthinee Sangkanu
Abolghasem Siyadatpanah
Roghayeh Norouzi
Julalak Chuprom
Watcharapong Mitsuwan
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 Pereira
Polrat Wilairatana
Christophe Patrice Andie Wiart
Mohammed Rahmatullah
Karma G. Dolma
Veeranoot Nissapatorn
author_facet Imran Sama-ae
Suthinee Sangkanu
Abolghasem Siyadatpanah
Roghayeh Norouzi
Julalak Chuprom
Watcharapong Mitsuwan
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 Pereira
Polrat Wilairatana
Christophe Patrice Andie Wiart
Mohammed Rahmatullah
Karma G. Dolma
Veeranoot Nissapatorn
author_sort Imran Sama-ae
title Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects
title_short Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects
title_full Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects
title_fullStr Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects
title_full_unstemmed Targeting Acanthamoeba proteins interaction with flavonoids of Propolis extract by in vitro and in silico studies for promising therapeutic effects
title_sort targeting acanthamoeba proteins interaction with flavonoids of propolis extract by in vitro and in silico studies for promising therapeutic effects
publisher F1000 Research Ltd
publishDate 2023
url https://eprints.ums.edu.my/id/eprint/35802/1/ABSTRACT.pdf
https://eprints.ums.edu.my/id/eprint/35802/2/FULL%20TEXT.pdf
https://eprints.ums.edu.my/id/eprint/35802/
https://doi.org/10.12688/f1000research.126227.3
_version_ 1772812700966977536
score 13.211869

Similar Items