Antibacterial Activity and Molecular Docking of Compounds from <i>Avicennia marina</i> Leaves Extracts: Obtained by Natural Deep Eutectic Solvents
This study aims to determine the effect of using natural deep eutectic solvent in extracting compounds from young and old leaves of Avicennia marina on the antibacterial activity through in vitro and in silico. The research method used was experimental with different molar ratios of solvent componen...
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Department of Chemistry, Universitas Gadjah Mada
2024-12-01
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| Series: | Indonesian Journal of Chemistry |
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| Online Access: | https://jurnal.ugm.ac.id/ijc/article/view/92444 |
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| author | Hartati Kartikaningsih Heder Djamaludin Nanda Audina Jihan Nur Fauziyah |
| author_facet | Hartati Kartikaningsih Heder Djamaludin Nanda Audina Jihan Nur Fauziyah |
| author_sort | Hartati Kartikaningsih |
| collection | DOAJ |
| description | This study aims to determine the effect of using natural deep eutectic solvent in extracting compounds from young and old leaves of Avicennia marina on the antibacterial activity through in vitro and in silico. The research method used was experimental with different molar ratios of solvent components: citric acid and glucose (1:1, 2:1, 3:1, 4:1 v/v). In vitro, the paper-disk method was employed to assess percent inhibition, and in silico, peptide deformylase (ID 6JFQ) was the target of the investigation. The best treatment results for testing the antibacterial activity of A. marina leaves extracts that were extracted using natural deep eutectic solvent against S. aureus and E. coli was citric acid and glucose (molar ratio 4:1). The inhibition zone by old leaves extracts was 27.47 and 37.73 mm, and by young leaves extracts were 28.69 and 30.99 mm. Then, phytochemical compound analysis was done using liquid chromatography-mass spectrometry, and six phytochemical compounds were obtained. The docking results showed that the diosmetin 7-O-β-D-glucuronide has the best binding affinity (−9.4 kcal/mol) towards the peptide deformylase. Purification must be done to obtain pure compounds from crude extracts of A. marina leaves. |
| format | Article |
| id | doaj-art-a178ae36d9b6442f8f07937338499afb |
| institution | Kabale University |
| issn | 1411-9420 2460-1578 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Department of Chemistry, Universitas Gadjah Mada |
| record_format | Article |
| series | Indonesian Journal of Chemistry |
| spelling | doaj-art-a178ae36d9b6442f8f07937338499afb2024-12-02T08:18:18ZengDepartment of Chemistry, Universitas Gadjah MadaIndonesian Journal of Chemistry1411-94202460-15782024-12-012461661167410.22146/ijc.9244436512Antibacterial Activity and Molecular Docking of Compounds from <i>Avicennia marina</i> Leaves Extracts: Obtained by Natural Deep Eutectic SolventsHartati Kartikaningsih0Heder Djamaludin1Nanda Audina2Jihan Nur Fauziyah3Fish Product Technology Study Program, Faculty of Fisheries and Marine Science, Brawijaya University, Veteran Street No. 1, Malang 65145, IndonesiaFish Product Technology Study Program, Faculty of Fisheries and Marine Science, Brawijaya University, Veteran Street No. 1, Malang 65145, IndonesiaFish Product Technology Study Program, Faculty of Fisheries and Marine Science, Brawijaya University, Veteran Street No. 1, Malang 65145, IndonesiaFish Product Technology Study Program, Faculty of Fisheries and Marine Science, Brawijaya University, Veteran Street No. 1, Malang 65145, IndonesiaThis study aims to determine the effect of using natural deep eutectic solvent in extracting compounds from young and old leaves of Avicennia marina on the antibacterial activity through in vitro and in silico. The research method used was experimental with different molar ratios of solvent components: citric acid and glucose (1:1, 2:1, 3:1, 4:1 v/v). In vitro, the paper-disk method was employed to assess percent inhibition, and in silico, peptide deformylase (ID 6JFQ) was the target of the investigation. The best treatment results for testing the antibacterial activity of A. marina leaves extracts that were extracted using natural deep eutectic solvent against S. aureus and E. coli was citric acid and glucose (molar ratio 4:1). The inhibition zone by old leaves extracts was 27.47 and 37.73 mm, and by young leaves extracts were 28.69 and 30.99 mm. Then, phytochemical compound analysis was done using liquid chromatography-mass spectrometry, and six phytochemical compounds were obtained. The docking results showed that the diosmetin 7-O-β-D-glucuronide has the best binding affinity (−9.4 kcal/mol) towards the peptide deformylase. Purification must be done to obtain pure compounds from crude extracts of A. marina leaves.https://jurnal.ugm.ac.id/ijc/article/view/92444citric aciddiosmetin 7-o-β-d-glucuronideescherichia coliglucosestaphylococcus aureus |
| spellingShingle | Hartati Kartikaningsih Heder Djamaludin Nanda Audina Jihan Nur Fauziyah Antibacterial Activity and Molecular Docking of Compounds from <i>Avicennia marina</i> Leaves Extracts: Obtained by Natural Deep Eutectic Solvents Indonesian Journal of Chemistry citric acid diosmetin 7-o-β-d-glucuronide escherichia coli glucose staphylococcus aureus |
| title | Antibacterial Activity and Molecular Docking of Compounds from <i>Avicennia marina</i> Leaves Extracts: Obtained by Natural Deep Eutectic Solvents |
| title_full | Antibacterial Activity and Molecular Docking of Compounds from <i>Avicennia marina</i> Leaves Extracts: Obtained by Natural Deep Eutectic Solvents |
| title_fullStr | Antibacterial Activity and Molecular Docking of Compounds from <i>Avicennia marina</i> Leaves Extracts: Obtained by Natural Deep Eutectic Solvents |
| title_full_unstemmed | Antibacterial Activity and Molecular Docking of Compounds from <i>Avicennia marina</i> Leaves Extracts: Obtained by Natural Deep Eutectic Solvents |
| title_short | Antibacterial Activity and Molecular Docking of Compounds from <i>Avicennia marina</i> Leaves Extracts: Obtained by Natural Deep Eutectic Solvents |
| title_sort | antibacterial activity and molecular docking of compounds from i avicennia marina i leaves extracts obtained by natural deep eutectic solvents |
| topic | citric acid diosmetin 7-o-β-d-glucuronide escherichia coli glucose staphylococcus aureus |
| url | https://jurnal.ugm.ac.id/ijc/article/view/92444 |
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