In Vitro and In Silico Biological Activities Investigation of Ethyl Acetate Extract of <i>Rubus ulmifolius</i> Schott Leaves Collected in Algeria
This investigation aimed to assess the in vitro and in silico biological properties of the ethyl acetate (EtOAc) extract obtained from leaves of <i>Rubus ulmifolius</i> Schott collected in Algeria. The phytochemical screening data disclosed that flavonoids, tannins, coumarins, saponins,...
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2024-12-01
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| author | Amina Bramki Djamila Benouchenne Maria Michela Salvatore Ouided Benslama Anna Andolfi Noureddine Rahim Mohamed Moussaoui Sourore Ramoul Sirine Nessah Ghozlane Barboucha Chawki Bensouici Alessio Cimmino Jesùs Garcìa Zorrilla Marco Masi |
| author_facet | Amina Bramki Djamila Benouchenne Maria Michela Salvatore Ouided Benslama Anna Andolfi Noureddine Rahim Mohamed Moussaoui Sourore Ramoul Sirine Nessah Ghozlane Barboucha Chawki Bensouici Alessio Cimmino Jesùs Garcìa Zorrilla Marco Masi |
| author_sort | Amina Bramki |
| collection | DOAJ |
| description | This investigation aimed to assess the in vitro and in silico biological properties of the ethyl acetate (EtOAc) extract obtained from leaves of <i>Rubus ulmifolius</i> Schott collected in Algeria. The phytochemical screening data disclosed that flavonoids, tannins, coumarins, saponins, and anthocyanins were abundant. High levels of total phenolics, total flavonoids and flavonols (523.25 ± 3.53 µg GAE/mg, 20.41 ± 1.80, and 9.62 ± 0.51 µg QE/mg respectively) were detected. Furthermore, GC-MS analysis was performed to identify low molecular weight compounds. <span style="font-variant: small-caps;">d</span>-(-)-Fructofuranose, gallic acid, caffeic acid, and catechin were detected as main metabolites of the EtOAc extract. The outcomes revealed that the extract exerted a potent antioxidant apt, and ensured significant bacterial growth inhibitory capacity, where the inhibition zone diameters ranged from 20.0 ± 0.5 to 24.5 ± 0.3 mm. These outcomes were confirmed through molecular docking against key bacterial enzymes that revealed significant interactions and binding affinities. <span style="font-variant: small-caps;">d</span>-(-)-Fructofuranose was identified as the most polar and flexible compound. Gallic acid and caffeic acid demonstrated higher unsaturation. Caffeic acid was well absorbed in the blood–brain barrier (BBB) and human intestine. Catechin was well absorbed in CaCO<sub>3</sub>, and can act as an inhibitor of CYP1A2. These results highlight how crucial it is to keep looking into natural substances in the quest for more potent and targeted pathology therapies. |
| format | Article |
| id | doaj-art-a0d2eb12cef048e9a779bf1d350a9512 |
| institution | OA Journals |
| issn | 2223-7747 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | MDPI AG |
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| series | Plants |
| spelling | doaj-art-a0d2eb12cef048e9a779bf1d350a95122025-08-20T02:38:48ZengMDPI AGPlants2223-77472024-12-011323342510.3390/plants13233425In Vitro and In Silico Biological Activities Investigation of Ethyl Acetate Extract of <i>Rubus ulmifolius</i> Schott Leaves Collected in AlgeriaAmina Bramki0Djamila Benouchenne1Maria Michela Salvatore2Ouided Benslama3Anna Andolfi4Noureddine Rahim5Mohamed Moussaoui6Sourore Ramoul7Sirine Nessah8Ghozlane Barboucha9Chawki Bensouici10Alessio Cimmino11Jesùs Garcìa Zorrilla12Marco Masi13Laboratory of BioEngineering, Higher National School of Biotechnology Taoufik Khaznadar, Nouveau Pôle Universitaire Ali Mendjeli, BP. E66, Constantine 25100, AlgeriaHigher National School of Biotechnology Taoufik Khaznadar, Nouveau Pôle Universitaire Ali Mendjeli, BP. E66, Constantine 25100, AlgeriaDepartment of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyLaboratory of Natural Substances, Biomolecules, and Biotechnological Applications, Department of Natural and Life Sciences, Larbi Ben M’Hidi University, Oum El Bouaghi 04000, AlgeriaDepartment of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyBiotechnologies Laboratory, Higher National School of Biotechnology Taoufik Khaznadar, Nouveau Pôle Universitaire Ali Mendjeli, BP. E66, Constantine 25100, AlgeriaPharmaceutical Sciences Research Center, Constantine 25100, AlgeriaHigher National School of Biotechnology Taoufik Khaznadar, Nouveau Pôle Universitaire Ali Mendjeli, BP. E66, Constantine 25100, AlgeriaHigher National School of Biotechnology Taoufik Khaznadar, Nouveau Pôle Universitaire Ali Mendjeli, BP. E66, Constantine 25100, AlgeriaBiotechnologies Laboratory, Higher National School of Biotechnology Taoufik Khaznadar, Nouveau Pôle Universitaire Ali Mendjeli, BP. E66, Constantine 25100, AlgeriaBiotechnology Research Center, UV 03, BP. E73, Ali Mendjeli 25016, AlgeriaDepartment of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyDepartment of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyDepartment of Chemical Sciences, University of Naples Federico II, 80126 Naples, ItalyThis investigation aimed to assess the in vitro and in silico biological properties of the ethyl acetate (EtOAc) extract obtained from leaves of <i>Rubus ulmifolius</i> Schott collected in Algeria. The phytochemical screening data disclosed that flavonoids, tannins, coumarins, saponins, and anthocyanins were abundant. High levels of total phenolics, total flavonoids and flavonols (523.25 ± 3.53 µg GAE/mg, 20.41 ± 1.80, and 9.62 ± 0.51 µg QE/mg respectively) were detected. Furthermore, GC-MS analysis was performed to identify low molecular weight compounds. <span style="font-variant: small-caps;">d</span>-(-)-Fructofuranose, gallic acid, caffeic acid, and catechin were detected as main metabolites of the EtOAc extract. The outcomes revealed that the extract exerted a potent antioxidant apt, and ensured significant bacterial growth inhibitory capacity, where the inhibition zone diameters ranged from 20.0 ± 0.5 to 24.5 ± 0.3 mm. These outcomes were confirmed through molecular docking against key bacterial enzymes that revealed significant interactions and binding affinities. <span style="font-variant: small-caps;">d</span>-(-)-Fructofuranose was identified as the most polar and flexible compound. Gallic acid and caffeic acid demonstrated higher unsaturation. Caffeic acid was well absorbed in the blood–brain barrier (BBB) and human intestine. Catechin was well absorbed in CaCO<sub>3</sub>, and can act as an inhibitor of CYP1A2. These results highlight how crucial it is to keep looking into natural substances in the quest for more potent and targeted pathology therapies.https://www.mdpi.com/2223-7747/13/23/3425<i>Rubus ulmifolius</i>GC-MS analysisbiological activitiesmolecular dockingADMET properties |
| spellingShingle | Amina Bramki Djamila Benouchenne Maria Michela Salvatore Ouided Benslama Anna Andolfi Noureddine Rahim Mohamed Moussaoui Sourore Ramoul Sirine Nessah Ghozlane Barboucha Chawki Bensouici Alessio Cimmino Jesùs Garcìa Zorrilla Marco Masi In Vitro and In Silico Biological Activities Investigation of Ethyl Acetate Extract of <i>Rubus ulmifolius</i> Schott Leaves Collected in Algeria Plants <i>Rubus ulmifolius</i> GC-MS analysis biological activities molecular docking ADMET properties |
| title | In Vitro and In Silico Biological Activities Investigation of Ethyl Acetate Extract of <i>Rubus ulmifolius</i> Schott Leaves Collected in Algeria |
| title_full | In Vitro and In Silico Biological Activities Investigation of Ethyl Acetate Extract of <i>Rubus ulmifolius</i> Schott Leaves Collected in Algeria |
| title_fullStr | In Vitro and In Silico Biological Activities Investigation of Ethyl Acetate Extract of <i>Rubus ulmifolius</i> Schott Leaves Collected in Algeria |
| title_full_unstemmed | In Vitro and In Silico Biological Activities Investigation of Ethyl Acetate Extract of <i>Rubus ulmifolius</i> Schott Leaves Collected in Algeria |
| title_short | In Vitro and In Silico Biological Activities Investigation of Ethyl Acetate Extract of <i>Rubus ulmifolius</i> Schott Leaves Collected in Algeria |
| title_sort | in vitro and in silico biological activities investigation of ethyl acetate extract of i rubus ulmifolius i schott leaves collected in algeria |
| topic | <i>Rubus ulmifolius</i> GC-MS analysis biological activities molecular docking ADMET properties |
| url | https://www.mdpi.com/2223-7747/13/23/3425 |
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