Evaluation of Annona muricata extract against Staphylococcus aureus isolate and in-silico activity of bioactive compounds against Capsular protein (Cap5O)
Abstract Background Staphylococcus aureus has prevailed against the majority of antibiotics currently in clinical use, making it a significant global public health problem. As a safer alternative, bioactive compounds have been explored. Annona muricata has been shown to possess antimicrobial activit...
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ftdoajarticles:oai:doaj.org/article:bd46ed61b82c40e49c8e11b7fa43006d 2023-05-15T15:52:57+02:00 Evaluation of Annona muricata extract against Staphylococcus aureus isolate and in-silico activity of bioactive compounds against Capsular protein (Cap5O) Uwem Okon Edet Francisca Obiageri Nwaokorie Elizabeth Nkagafel Mbim Edet Effiong Asanga Yeneochia Ogar Agbor Henshaw Uchechi Okoroiwu Bassey Okon Edet Nikita Umoafia Ani Nkang 2022-07-01T00:00:00Z https://doi.org/10.1186/s12906-022-03672-4 https://doaj.org/article/bd46ed61b82c40e49c8e11b7fa43006d EN eng BMC https://doi.org/10.1186/s12906-022-03672-4 https://doaj.org/toc/2662-7671 doi:10.1186/s12906-022-03672-4 2662-7671 https://doaj.org/article/bd46ed61b82c40e49c8e11b7fa43006d BMC Complementary Medicine and Therapies, Vol 22, Iss 1, Pp 1-9 (2022) Docking Nutrients Phytochemicals Annona muricata MDRSA Cap5O Other systems of medicine RZ201-999 article 2022 ftdoajarticles https://doi.org/10.1186/s12906-022-03672-4 2022-12-31T01:04:55Z Abstract Background Staphylococcus aureus has prevailed against the majority of antibiotics currently in clinical use, making it a significant global public health problem. As a safer alternative, bioactive compounds have been explored. Annona muricata has been shown to possess antimicrobial activity. However, there are few reports on the molecular activity of A. muricata bioactive compounds against S. aureus. Thus, this study was aimed at evaluating the antimicrobial activity of its crude extract as well as investigating the potential of its bioactive compounds against the Cap5O capsular polysaccharides (CPS) of S. aureus via molecular docking. Methods Collection of plant leaves, preparation of extracts, anti-nutrient analysis, phytochemical screening via crude method and gas chromatography-mass spectrophotometer (GC-MS), isolation and characterization of S. aureus and the antimicrobial activity test were all done using standard protocols. Molecular docking was done using the MCULE online tool with emphasis on docking scores, toxicity, and other properties. Results Crude screening of the extracts showed the presence of polyphenols, hydroxyanthraquinones, reducing compounds, flavonoids, saponins, glycosides, alkaloids, anthraquinones, phlobatannins and tannins in different concentrations. Anti-nutrient analysis showed the presence of allowable levels of evaluated anti-nutrients. GC-MS revealed a total of twenty-nine (29) bioactive compounds, out of which only 4 (13.80%) docked without toxicity and these were bicyclo[4.1.0]heptan-2-one 6-methyl, trichloromethane, carbonic acid 2-dimethylaminoethyl propyl ester, and 1-methyl-4-phenyl-5-thioxo-1,2,4-triazolidin-3-one on either the NAD-binding or C-terminal substrate binding domain of Cap5O. Conclusion Results obtained show that Cap5O could be a potential drug target for multi-drug resistant S. aureus, however, further studies aimed at evaluating these bioactive compounds individually and in combination are highly needed. Article in Journal/Newspaper Carbonic acid Directory of Open Access Journals: DOAJ Articles BMC Complementary Medicine and Therapies 22 1 |
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Directory of Open Access Journals: DOAJ Articles |
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ftdoajarticles |
language |
English |
topic |
Docking Nutrients Phytochemicals Annona muricata MDRSA Cap5O Other systems of medicine RZ201-999 |
spellingShingle |
Docking Nutrients Phytochemicals Annona muricata MDRSA Cap5O Other systems of medicine RZ201-999 Uwem Okon Edet Francisca Obiageri Nwaokorie Elizabeth Nkagafel Mbim Edet Effiong Asanga Yeneochia Ogar Agbor Henshaw Uchechi Okoroiwu Bassey Okon Edet Nikita Umoafia Ani Nkang Evaluation of Annona muricata extract against Staphylococcus aureus isolate and in-silico activity of bioactive compounds against Capsular protein (Cap5O) |
topic_facet |
Docking Nutrients Phytochemicals Annona muricata MDRSA Cap5O Other systems of medicine RZ201-999 |
description |
Abstract Background Staphylococcus aureus has prevailed against the majority of antibiotics currently in clinical use, making it a significant global public health problem. As a safer alternative, bioactive compounds have been explored. Annona muricata has been shown to possess antimicrobial activity. However, there are few reports on the molecular activity of A. muricata bioactive compounds against S. aureus. Thus, this study was aimed at evaluating the antimicrobial activity of its crude extract as well as investigating the potential of its bioactive compounds against the Cap5O capsular polysaccharides (CPS) of S. aureus via molecular docking. Methods Collection of plant leaves, preparation of extracts, anti-nutrient analysis, phytochemical screening via crude method and gas chromatography-mass spectrophotometer (GC-MS), isolation and characterization of S. aureus and the antimicrobial activity test were all done using standard protocols. Molecular docking was done using the MCULE online tool with emphasis on docking scores, toxicity, and other properties. Results Crude screening of the extracts showed the presence of polyphenols, hydroxyanthraquinones, reducing compounds, flavonoids, saponins, glycosides, alkaloids, anthraquinones, phlobatannins and tannins in different concentrations. Anti-nutrient analysis showed the presence of allowable levels of evaluated anti-nutrients. GC-MS revealed a total of twenty-nine (29) bioactive compounds, out of which only 4 (13.80%) docked without toxicity and these were bicyclo[4.1.0]heptan-2-one 6-methyl, trichloromethane, carbonic acid 2-dimethylaminoethyl propyl ester, and 1-methyl-4-phenyl-5-thioxo-1,2,4-triazolidin-3-one on either the NAD-binding or C-terminal substrate binding domain of Cap5O. Conclusion Results obtained show that Cap5O could be a potential drug target for multi-drug resistant S. aureus, however, further studies aimed at evaluating these bioactive compounds individually and in combination are highly needed. |
format |
Article in Journal/Newspaper |
author |
Uwem Okon Edet Francisca Obiageri Nwaokorie Elizabeth Nkagafel Mbim Edet Effiong Asanga Yeneochia Ogar Agbor Henshaw Uchechi Okoroiwu Bassey Okon Edet Nikita Umoafia Ani Nkang |
author_facet |
Uwem Okon Edet Francisca Obiageri Nwaokorie Elizabeth Nkagafel Mbim Edet Effiong Asanga Yeneochia Ogar Agbor Henshaw Uchechi Okoroiwu Bassey Okon Edet Nikita Umoafia Ani Nkang |
author_sort |
Uwem Okon Edet |
title |
Evaluation of Annona muricata extract against Staphylococcus aureus isolate and in-silico activity of bioactive compounds against Capsular protein (Cap5O) |
title_short |
Evaluation of Annona muricata extract against Staphylococcus aureus isolate and in-silico activity of bioactive compounds against Capsular protein (Cap5O) |
title_full |
Evaluation of Annona muricata extract against Staphylococcus aureus isolate and in-silico activity of bioactive compounds against Capsular protein (Cap5O) |
title_fullStr |
Evaluation of Annona muricata extract against Staphylococcus aureus isolate and in-silico activity of bioactive compounds against Capsular protein (Cap5O) |
title_full_unstemmed |
Evaluation of Annona muricata extract against Staphylococcus aureus isolate and in-silico activity of bioactive compounds against Capsular protein (Cap5O) |
title_sort |
evaluation of annona muricata extract against staphylococcus aureus isolate and in-silico activity of bioactive compounds against capsular protein (cap5o) |
publisher |
BMC |
publishDate |
2022 |
url |
https://doi.org/10.1186/s12906-022-03672-4 https://doaj.org/article/bd46ed61b82c40e49c8e11b7fa43006d |
genre |
Carbonic acid |
genre_facet |
Carbonic acid |
op_source |
BMC Complementary Medicine and Therapies, Vol 22, Iss 1, Pp 1-9 (2022) |
op_relation |
https://doi.org/10.1186/s12906-022-03672-4 https://doaj.org/toc/2662-7671 doi:10.1186/s12906-022-03672-4 2662-7671 https://doaj.org/article/bd46ed61b82c40e49c8e11b7fa43006d |
op_doi |
https://doi.org/10.1186/s12906-022-03672-4 |
container_title |
BMC Complementary Medicine and Therapies |
container_volume |
22 |
container_issue |
1 |
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1766388043229429760 |