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Antimicrobial analysis of honey against Staphylococcus aureus isolates from wound, ADMET properties of its bioactive compounds and in-silico evaluation against dihydropteroate synthase
BACKGROUND: One of the main challenges of wound healing is infection with multi-drug resistant (MDR) bacteria such as Staphylococcus aureus. The spectrum of antibiotics used to treat them is declining; thus, there is a need for alternatives. Our study was designed to evaluate the antimicrobial prope...
Autores principales: | , , , , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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BioMed Central
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9901111/ https://www.ncbi.nlm.nih.gov/pubmed/36747234 http://dx.doi.org/10.1186/s12906-023-03841-z |
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author | Edet, Uwem Okon Mbim, Elizabeth Nkagafel Ezeani, Esu Henshaw, Okoroiwu Uchechi Ibor, Oju R. Bassey, Ini Ubi Asanga, Edet Effiong Antai, Ekpo Eyo Nwaokorie, Francisca O. Edet, Bassey Okon Bebia, Glory P. Tega, Curtis Mboto, Clement I. Nkang, Ani Nneoyi-Egbe, Ada Francesca |
author_facet | Edet, Uwem Okon Mbim, Elizabeth Nkagafel Ezeani, Esu Henshaw, Okoroiwu Uchechi Ibor, Oju R. Bassey, Ini Ubi Asanga, Edet Effiong Antai, Ekpo Eyo Nwaokorie, Francisca O. Edet, Bassey Okon Bebia, Glory P. Tega, Curtis Mboto, Clement I. Nkang, Ani Nneoyi-Egbe, Ada Francesca |
author_sort | Edet, Uwem Okon |
collection | PubMed |
description | BACKGROUND: One of the main challenges of wound healing is infection with multi-drug resistant (MDR) bacteria such as Staphylococcus aureus. The spectrum of antibiotics used to treat them is declining; thus, there is a need for alternatives. Our study was designed to evaluate the antimicrobial properties of honey, its pharmacokinetics (ADMET) properties and in-silico analysis of its bioactive compounds against dihydropteroate synthase of S. aureus using trimethoprim as control. METHODS: Standard protocols were employed in collection and preparation of samples, generation of canonical strings, and conduction of microbiological analyses. Bioactive compounds’ ADMET properties were evaluated using the SWISSADME and the MCULE toxicity checker tools. The MCULE one-click docking tool was used in carrying out the dockings. RESULTS: The gas chromatography-mass spectrophotometry revealed twenty (20) bioactive compounds and was dominated by sugars (> 60%). We isolated a total of 47 S. aureus isolates from the wound samples. At lower concentrations, resistance to trimethoprim (95.74 to 100.00%) was higher than honey (70.21 to 96.36%). Only seven (7) isolates meet Lipinski’s rule of five and ADMET properties. The docking scores of the bioactive compounds ranged from -3.3 to -4.6 while that of trimethoprim was -6.1, indicating better binding or interaction with the dihydropteroate synthase. The bioactive compounds were not substrates to P450 cytochrome enzymes (CYP1A2, CYP2CI9 and CYP2D6) and p-glycoprotein, indicating better gastrointestinal tract (GIT) absorption. CONCLUSION: The favourable docking properties shown by the bioactive compounds suggest they could be lead compounds for newer antimetabolites for management of MDR S. aureus. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s12906-023-03841-z. |
format | Online Article Text |
id | pubmed-9901111 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | BioMed Central |
record_format | MEDLINE/PubMed |
spelling | pubmed-99011112023-02-07 Antimicrobial analysis of honey against Staphylococcus aureus isolates from wound, ADMET properties of its bioactive compounds and in-silico evaluation against dihydropteroate synthase Edet, Uwem Okon Mbim, Elizabeth Nkagafel Ezeani, Esu Henshaw, Okoroiwu Uchechi Ibor, Oju R. Bassey, Ini Ubi Asanga, Edet Effiong Antai, Ekpo Eyo Nwaokorie, Francisca O. Edet, Bassey Okon Bebia, Glory P. Tega, Curtis Mboto, Clement I. Nkang, Ani Nneoyi-Egbe, Ada Francesca BMC Complement Med Ther Research BACKGROUND: One of the main challenges of wound healing is infection with multi-drug resistant (MDR) bacteria such as Staphylococcus aureus. The spectrum of antibiotics used to treat them is declining; thus, there is a need for alternatives. Our study was designed to evaluate the antimicrobial properties of honey, its pharmacokinetics (ADMET) properties and in-silico analysis of its bioactive compounds against dihydropteroate synthase of S. aureus using trimethoprim as control. METHODS: Standard protocols were employed in collection and preparation of samples, generation of canonical strings, and conduction of microbiological analyses. Bioactive compounds’ ADMET properties were evaluated using the SWISSADME and the MCULE toxicity checker tools. The MCULE one-click docking tool was used in carrying out the dockings. RESULTS: The gas chromatography-mass spectrophotometry revealed twenty (20) bioactive compounds and was dominated by sugars (> 60%). We isolated a total of 47 S. aureus isolates from the wound samples. At lower concentrations, resistance to trimethoprim (95.74 to 100.00%) was higher than honey (70.21 to 96.36%). Only seven (7) isolates meet Lipinski’s rule of five and ADMET properties. The docking scores of the bioactive compounds ranged from -3.3 to -4.6 while that of trimethoprim was -6.1, indicating better binding or interaction with the dihydropteroate synthase. The bioactive compounds were not substrates to P450 cytochrome enzymes (CYP1A2, CYP2CI9 and CYP2D6) and p-glycoprotein, indicating better gastrointestinal tract (GIT) absorption. CONCLUSION: The favourable docking properties shown by the bioactive compounds suggest they could be lead compounds for newer antimetabolites for management of MDR S. aureus. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s12906-023-03841-z. BioMed Central 2023-02-06 /pmc/articles/PMC9901111/ /pubmed/36747234 http://dx.doi.org/10.1186/s12906-023-03841-z Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/ (https://creativecommons.org/publicdomain/zero/1.0/) ) applies to the data made available in this article, unless otherwise stated in a credit line to the data. |
spellingShingle | Research Edet, Uwem Okon Mbim, Elizabeth Nkagafel Ezeani, Esu Henshaw, Okoroiwu Uchechi Ibor, Oju R. Bassey, Ini Ubi Asanga, Edet Effiong Antai, Ekpo Eyo Nwaokorie, Francisca O. Edet, Bassey Okon Bebia, Glory P. Tega, Curtis Mboto, Clement I. Nkang, Ani Nneoyi-Egbe, Ada Francesca Antimicrobial analysis of honey against Staphylococcus aureus isolates from wound, ADMET properties of its bioactive compounds and in-silico evaluation against dihydropteroate synthase |
title | Antimicrobial analysis of honey against Staphylococcus aureus isolates from wound, ADMET properties of its bioactive compounds and in-silico evaluation against dihydropteroate synthase |
title_full | Antimicrobial analysis of honey against Staphylococcus aureus isolates from wound, ADMET properties of its bioactive compounds and in-silico evaluation against dihydropteroate synthase |
title_fullStr | Antimicrobial analysis of honey against Staphylococcus aureus isolates from wound, ADMET properties of its bioactive compounds and in-silico evaluation against dihydropteroate synthase |
title_full_unstemmed | Antimicrobial analysis of honey against Staphylococcus aureus isolates from wound, ADMET properties of its bioactive compounds and in-silico evaluation against dihydropteroate synthase |
title_short | Antimicrobial analysis of honey against Staphylococcus aureus isolates from wound, ADMET properties of its bioactive compounds and in-silico evaluation against dihydropteroate synthase |
title_sort | antimicrobial analysis of honey against staphylococcus aureus isolates from wound, admet properties of its bioactive compounds and in-silico evaluation against dihydropteroate synthase |
topic | Research |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9901111/ https://www.ncbi.nlm.nih.gov/pubmed/36747234 http://dx.doi.org/10.1186/s12906-023-03841-z |
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