Antioxidant, antibacterial, and molecular docking of methyl ferulate and oleic acid produced by Aspergillus pseudodeflectus AUMC 15761 utilizing wheat bran
Abstract Secondary metabolites (SMs) are the primary source of therapeutics and lead chemicals in medicine. They have been especially important in the creation of effective cures for conditions such as cancer, malaria, bacterial and fungal infections, neurological and cardiovascular problems, and au...
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| Format: | Article |
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Nature Portfolio
2024-02-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-024-52045-z |
| _version_ | 1797209337905545216 |
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| author | Ahmed Mohamed Ahmed Ali Ramadan Sabry Ahmed Hussein Zidan Reda Mohamed Shehata Hussein Hosny EL-Sheikh Fuad Ameen Steven L. Stephenson Osama Abdel-Hafeez Mohamed Al-Bedak |
| author_facet | Ahmed Mohamed Ahmed Ali Ramadan Sabry Ahmed Hussein Zidan Reda Mohamed Shehata Hussein Hosny EL-Sheikh Fuad Ameen Steven L. Stephenson Osama Abdel-Hafeez Mohamed Al-Bedak |
| author_sort | Ahmed Mohamed Ahmed Ali Ramadan |
| collection | DOAJ |
| description | Abstract Secondary metabolites (SMs) are the primary source of therapeutics and lead chemicals in medicine. They have been especially important in the creation of effective cures for conditions such as cancer, malaria, bacterial and fungal infections, neurological and cardiovascular problems, and autoimmune illnesses. In the present study, Aspergillus pseudodeflectus AUMC 15761 was demonstrated to use wheat bran in solid state fermentation (SSF) at optimum conditions (pH 7.0 at 30 °C after 10 days of incubation and using sodium nitrate as a nitrogen source) to produce methyl ferulate and oleic acid with significant antioxidant and antibacterial properties. Gas chromatography-mass spectrometry (GC–MS) analysis of the crude methanol extract revealed eleven peaks that indicated the most common chemical components. Purification of methyl ferulate and oleic acid was carried out by column chromatography, and both compounds were identified by in-depth spectroscopic analysis, including 1D and 2D NMR and HR-ESI–MS. DPPH activity increased as the sample concentration increased. IC50 values of both compounds obtained were 73.213 ± 11.20 and 104.178 ± 9.53 µM, respectively. Also, the MIC value for methyl ferulate against Bacillus subtilis and Staphylococcus aureus was 0.31 mg/mL, while the corresponding MIC values for oleic acid were 1.25 mg/mL and 0.62 mg/mL for both bacterial strains, respectively. Molecular modeling calculations were carried out to reveal the binding mode of methyl ferulate and oleic acid within the binding site of the crucial proteins of Staphylococcus aureus. The docking results were found to be well correlated with the experimental data. |
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| format | Article |
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| language | English |
| last_indexed | 2024-04-24T09:53:06Z |
| publishDate | 2024-02-01 |
| publisher | Nature Portfolio |
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| series | Scientific Reports |
| spelling | doaj.art-3efcced7082b411ea9488dc98787cf682024-04-14T11:17:10ZengNature PortfolioScientific Reports2045-23222024-02-0114112210.1038/s41598-024-52045-zAntioxidant, antibacterial, and molecular docking of methyl ferulate and oleic acid produced by Aspergillus pseudodeflectus AUMC 15761 utilizing wheat branAhmed Mohamed Ahmed Ali Ramadan0Sabry Ahmed Hussein Zidan1Reda Mohamed Shehata2Hussein Hosny EL-Sheikh3Fuad Ameen4Steven L. Stephenson5Osama Abdel-Hafeez Mohamed Al-Bedak6Department of Botany & Microbiology, Faculty of Science, Al Azhar UniversityDepartment of Pharmacognosy, Faculty of Pharmacy, Al-Azhar University, Assiut BranchDepartment of Botany & Microbiology, Faculty of Science, Al Azhar UniversityDepartment of Botany & Microbiology, Faculty of Science, Al Azhar UniversityDepartment of Botany & Microbiology, College of Science, King Saud UniversityDepartment of Biological Sciences, University of ArkansasAssiut University Mycological Centre, Assiut UniversityAbstract Secondary metabolites (SMs) are the primary source of therapeutics and lead chemicals in medicine. They have been especially important in the creation of effective cures for conditions such as cancer, malaria, bacterial and fungal infections, neurological and cardiovascular problems, and autoimmune illnesses. In the present study, Aspergillus pseudodeflectus AUMC 15761 was demonstrated to use wheat bran in solid state fermentation (SSF) at optimum conditions (pH 7.0 at 30 °C after 10 days of incubation and using sodium nitrate as a nitrogen source) to produce methyl ferulate and oleic acid with significant antioxidant and antibacterial properties. Gas chromatography-mass spectrometry (GC–MS) analysis of the crude methanol extract revealed eleven peaks that indicated the most common chemical components. Purification of methyl ferulate and oleic acid was carried out by column chromatography, and both compounds were identified by in-depth spectroscopic analysis, including 1D and 2D NMR and HR-ESI–MS. DPPH activity increased as the sample concentration increased. IC50 values of both compounds obtained were 73.213 ± 11.20 and 104.178 ± 9.53 µM, respectively. Also, the MIC value for methyl ferulate against Bacillus subtilis and Staphylococcus aureus was 0.31 mg/mL, while the corresponding MIC values for oleic acid were 1.25 mg/mL and 0.62 mg/mL for both bacterial strains, respectively. Molecular modeling calculations were carried out to reveal the binding mode of methyl ferulate and oleic acid within the binding site of the crucial proteins of Staphylococcus aureus. The docking results were found to be well correlated with the experimental data.https://doi.org/10.1038/s41598-024-52045-z |
| spellingShingle | Ahmed Mohamed Ahmed Ali Ramadan Sabry Ahmed Hussein Zidan Reda Mohamed Shehata Hussein Hosny EL-Sheikh Fuad Ameen Steven L. Stephenson Osama Abdel-Hafeez Mohamed Al-Bedak Antioxidant, antibacterial, and molecular docking of methyl ferulate and oleic acid produced by Aspergillus pseudodeflectus AUMC 15761 utilizing wheat bran Scientific Reports |
| title | Antioxidant, antibacterial, and molecular docking of methyl ferulate and oleic acid produced by Aspergillus pseudodeflectus AUMC 15761 utilizing wheat bran |
| title_full | Antioxidant, antibacterial, and molecular docking of methyl ferulate and oleic acid produced by Aspergillus pseudodeflectus AUMC 15761 utilizing wheat bran |
| title_fullStr | Antioxidant, antibacterial, and molecular docking of methyl ferulate and oleic acid produced by Aspergillus pseudodeflectus AUMC 15761 utilizing wheat bran |
| title_full_unstemmed | Antioxidant, antibacterial, and molecular docking of methyl ferulate and oleic acid produced by Aspergillus pseudodeflectus AUMC 15761 utilizing wheat bran |
| title_short | Antioxidant, antibacterial, and molecular docking of methyl ferulate and oleic acid produced by Aspergillus pseudodeflectus AUMC 15761 utilizing wheat bran |
| title_sort | antioxidant antibacterial and molecular docking of methyl ferulate and oleic acid produced by aspergillus pseudodeflectus aumc 15761 utilizing wheat bran |
| url | https://doi.org/10.1038/s41598-024-52045-z |
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