Therapeutic Insights into Rubus ulmifolius Schott Leaf Extract: In Vitro Antifungal, Enzyme Inhibition, and Anticancer Activities Integrated with Network Pharmacology and Molecular Docking Analyses of Colorectal and Ovarian Cancer
<h3>Background/Objectives</h3><p dir="ltr">This study evaluated the antifungal, enzyme inhibitory, and anticancer properties of the ethyl acetate (EtOAc) leaves extract of <i>Rubus ulmifolius</i> Schott using in vitro assays and in silico analysis. </p>&...
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| مؤلفون آخرون: | , , , , , , , |
| منشور في: |
2025
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| _version_ | 1864513534638948352 |
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| author | Amina Bramki (14774747) |
| author2 | Ghozlane Barboucha (22468180) Ouided Benslama (22381753) Fatiha Seglab (22468265) Makhlouf Fatima Zohra (21411287) Sirine Nessah (22468282) Chawki Bensouici (4250905) Marco Masi (1426375) Abdullah Shaito (20545181) |
| author2_role | author author author author author author author author |
| author_facet | Amina Bramki (14774747) Ghozlane Barboucha (22468180) Ouided Benslama (22381753) Fatiha Seglab (22468265) Makhlouf Fatima Zohra (21411287) Sirine Nessah (22468282) Chawki Bensouici (4250905) Marco Masi (1426375) Abdullah Shaito (20545181) |
| author_role | author |
| dc.creator.none.fl_str_mv | Amina Bramki (14774747) Ghozlane Barboucha (22468180) Ouided Benslama (22381753) Fatiha Seglab (22468265) Makhlouf Fatima Zohra (21411287) Sirine Nessah (22468282) Chawki Bensouici (4250905) Marco Masi (1426375) Abdullah Shaito (20545181) |
| dc.date.none.fl_str_mv | 2025-10-16T00:00:00Z |
| dc.identifier.none.fl_str_mv | 10.3390/ph18101563 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/journal_contribution/Therapeutic_Insights_into_Rubus_ulmifolius_Schott_Leaf_Extract_In_Vitro_Antifungal_Enzyme_Inhibition_and_Anticancer_Activities_Integrated_with_Network_Pharmacology_and_Molecular_Docking_Analyses_of_Colorectal_and_Ovarian_Cancer/30376423 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Agricultural, veterinary and food sciences Crop and pasture production Biological sciences Biochemistry and cell biology Bioinformatics and computational biology Biomedical and clinical sciences Pharmacology and pharmaceutical sciences Chemical sciences Medicinal and biomolecular chemistry Health sciences Traditional, complementary and integrative medicine Rubus ulmifolius Schott GC-MS antifungal activity AChE BChE urease enzyme inhibition anticancer activity network pharmacology molecular docking |
| dc.title.none.fl_str_mv | Therapeutic Insights into Rubus ulmifolius Schott Leaf Extract: In Vitro Antifungal, Enzyme Inhibition, and Anticancer Activities Integrated with Network Pharmacology and Molecular Docking Analyses of Colorectal and Ovarian Cancer |
| dc.type.none.fl_str_mv | Text Journal contribution info:eu-repo/semantics/publishedVersion text contribution to journal |
| description | <h3>Background/Objectives</h3><p dir="ltr">This study evaluated the antifungal, enzyme inhibitory, and anticancer properties of the ethyl acetate (EtOAc) leaves extract of <i>Rubus ulmifolius</i> Schott using in vitro assays and in silico analysis. </p><h3>Methods</h3><p dir="ltr">Antifungal activity was assessed against five fungal strains by measuring inhibition zones. Enzyme inhibition assays were conducted for acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and urease. Antiproliferative effects were tested against HT-29 colorectal, SK-OV-3 ovarian, and A549 lung cancer cells using the MTT assay. Network pharmacology and molecular docking analyses were performed on major compounds previously identified by GC–MS (gallic acid, caffeic acid, catechin, and fructofuranose) to uncover the potential mechanisms of the plant in colorectal and ovarian cancers. </p><h3>Results</h3><p dir="ltr">The extract displayed notable antifungal activity, particularly against <i>Penicillium</i> sp., <i>Aspergillus fumigatus</i>, and <i>Candida albicans</i>, with inhibition zones of 22.5 ± 0.7 to 26.8 ± 1.3 mm. Enzyme assays revealed moderate inhibition of AChE (IC<sub>50</sub> = 92.94 ± 1.97 µg/mL), weaker activity against BChE (IC<sub>50</sub> = 274.93 ± 2.32 µg/mL), and modest inhibition of urease (IC<sub>50</sub> = 262.60 ± 1.41 µg/mL). The extract exhibited strong antiproliferative effects against HT-29 and SK-OV-3 cells (IC<sub>50</sub> = 2.41 ± 0.13 and 4.63 ± 0.26 µg/mL, respectively), whereas activity against A549 lung cancer cells was limited. Network pharmacology predicted 52 and 44 overlapping target genes between the major compounds and colorectal and ovarian cancers, respectively. Protein–protein interaction networks identified hub genes for each cancer type, with key shared targets including <i>EGFR</i>, <i>ESR1</i>, <i>PTGS2</i>, and <i>STAT3</i>. Molecular docking confirmed favorable binding between these targets and the compounds, particularly catechin, which showed interactions comparable to those of reference inhibitors. </p><h3>Conclusions</h3><p dir="ltr">These findings suggest that <i>R. ulmifolius</i> may possess multi-target antifungal, neuroprotective, and anticancer potential, warranting further in vitro pharmacological and preclinical validation.</p><h2>Other Information</h2><p dir="ltr">Published in: Pharmaceuticals<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://doi.org/10.3390/ph18101563" target="_blank">https://doi.org/10.3390/ph18101563</a></p> |
| eu_rights_str_mv | openAccess |
| id | Manara2_5dd33457c3cf699f1ff2bd1f88ab65ef |
| identifier_str_mv | 10.3390/ph18101563 |
| network_acronym_str | Manara2 |
| network_name_str | Manara2 |
| oai_identifier_str | oai:figshare.com:article/30376423 |
| publishDate | 2025 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | Therapeutic Insights into Rubus ulmifolius Schott Leaf Extract: In Vitro Antifungal, Enzyme Inhibition, and Anticancer Activities Integrated with Network Pharmacology and Molecular Docking Analyses of Colorectal and Ovarian CancerAmina Bramki (14774747)Ghozlane Barboucha (22468180)Ouided Benslama (22381753)Fatiha Seglab (22468265)Makhlouf Fatima Zohra (21411287)Sirine Nessah (22468282)Chawki Bensouici (4250905)Marco Masi (1426375)Abdullah Shaito (20545181)Agricultural, veterinary and food sciencesCrop and pasture productionBiological sciencesBiochemistry and cell biologyBioinformatics and computational biologyBiomedical and clinical sciencesPharmacology and pharmaceutical sciencesChemical sciencesMedicinal and biomolecular chemistryHealth sciencesTraditional, complementary and integrative medicineRubus ulmifolius SchottGC-MSantifungal activityAChEBChEurease enzyme inhibitionanticancer activitynetwork pharmacologymolecular docking<h3>Background/Objectives</h3><p dir="ltr">This study evaluated the antifungal, enzyme inhibitory, and anticancer properties of the ethyl acetate (EtOAc) leaves extract of <i>Rubus ulmifolius</i> Schott using in vitro assays and in silico analysis. </p><h3>Methods</h3><p dir="ltr">Antifungal activity was assessed against five fungal strains by measuring inhibition zones. Enzyme inhibition assays were conducted for acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and urease. Antiproliferative effects were tested against HT-29 colorectal, SK-OV-3 ovarian, and A549 lung cancer cells using the MTT assay. Network pharmacology and molecular docking analyses were performed on major compounds previously identified by GC–MS (gallic acid, caffeic acid, catechin, and fructofuranose) to uncover the potential mechanisms of the plant in colorectal and ovarian cancers. </p><h3>Results</h3><p dir="ltr">The extract displayed notable antifungal activity, particularly against <i>Penicillium</i> sp., <i>Aspergillus fumigatus</i>, and <i>Candida albicans</i>, with inhibition zones of 22.5 ± 0.7 to 26.8 ± 1.3 mm. Enzyme assays revealed moderate inhibition of AChE (IC<sub>50</sub> = 92.94 ± 1.97 µg/mL), weaker activity against BChE (IC<sub>50</sub> = 274.93 ± 2.32 µg/mL), and modest inhibition of urease (IC<sub>50</sub> = 262.60 ± 1.41 µg/mL). The extract exhibited strong antiproliferative effects against HT-29 and SK-OV-3 cells (IC<sub>50</sub> = 2.41 ± 0.13 and 4.63 ± 0.26 µg/mL, respectively), whereas activity against A549 lung cancer cells was limited. Network pharmacology predicted 52 and 44 overlapping target genes between the major compounds and colorectal and ovarian cancers, respectively. Protein–protein interaction networks identified hub genes for each cancer type, with key shared targets including <i>EGFR</i>, <i>ESR1</i>, <i>PTGS2</i>, and <i>STAT3</i>. Molecular docking confirmed favorable binding between these targets and the compounds, particularly catechin, which showed interactions comparable to those of reference inhibitors. </p><h3>Conclusions</h3><p dir="ltr">These findings suggest that <i>R. ulmifolius</i> may possess multi-target antifungal, neuroprotective, and anticancer potential, warranting further in vitro pharmacological and preclinical validation.</p><h2>Other Information</h2><p dir="ltr">Published in: Pharmaceuticals<br>License: <a href="https://creativecommons.org/licenses/by/4.0" target="_blank">https://creativecommons.org/licenses/by/4.0</a><br>See article on publisher's website: <a href="https://doi.org/10.3390/ph18101563" target="_blank">https://doi.org/10.3390/ph18101563</a></p>2025-10-16T00:00:00ZTextJournal contributioninfo:eu-repo/semantics/publishedVersiontextcontribution to journal10.3390/ph18101563https://figshare.com/articles/journal_contribution/Therapeutic_Insights_into_Rubus_ulmifolius_Schott_Leaf_Extract_In_Vitro_Antifungal_Enzyme_Inhibition_and_Anticancer_Activities_Integrated_with_Network_Pharmacology_and_Molecular_Docking_Analyses_of_Colorectal_and_Ovarian_Cancer/30376423CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/303764232025-10-16T00:00:00Z |
| spellingShingle | Therapeutic Insights into Rubus ulmifolius Schott Leaf Extract: In Vitro Antifungal, Enzyme Inhibition, and Anticancer Activities Integrated with Network Pharmacology and Molecular Docking Analyses of Colorectal and Ovarian Cancer Amina Bramki (14774747) Agricultural, veterinary and food sciences Crop and pasture production Biological sciences Biochemistry and cell biology Bioinformatics and computational biology Biomedical and clinical sciences Pharmacology and pharmaceutical sciences Chemical sciences Medicinal and biomolecular chemistry Health sciences Traditional, complementary and integrative medicine Rubus ulmifolius Schott GC-MS antifungal activity AChE BChE urease enzyme inhibition anticancer activity network pharmacology molecular docking |
| status_str | publishedVersion |
| title | Therapeutic Insights into Rubus ulmifolius Schott Leaf Extract: In Vitro Antifungal, Enzyme Inhibition, and Anticancer Activities Integrated with Network Pharmacology and Molecular Docking Analyses of Colorectal and Ovarian Cancer |
| title_full | Therapeutic Insights into Rubus ulmifolius Schott Leaf Extract: In Vitro Antifungal, Enzyme Inhibition, and Anticancer Activities Integrated with Network Pharmacology and Molecular Docking Analyses of Colorectal and Ovarian Cancer |
| title_fullStr | Therapeutic Insights into Rubus ulmifolius Schott Leaf Extract: In Vitro Antifungal, Enzyme Inhibition, and Anticancer Activities Integrated with Network Pharmacology and Molecular Docking Analyses of Colorectal and Ovarian Cancer |
| title_full_unstemmed | Therapeutic Insights into Rubus ulmifolius Schott Leaf Extract: In Vitro Antifungal, Enzyme Inhibition, and Anticancer Activities Integrated with Network Pharmacology and Molecular Docking Analyses of Colorectal and Ovarian Cancer |
| title_short | Therapeutic Insights into Rubus ulmifolius Schott Leaf Extract: In Vitro Antifungal, Enzyme Inhibition, and Anticancer Activities Integrated with Network Pharmacology and Molecular Docking Analyses of Colorectal and Ovarian Cancer |
| title_sort | Therapeutic Insights into Rubus ulmifolius Schott Leaf Extract: In Vitro Antifungal, Enzyme Inhibition, and Anticancer Activities Integrated with Network Pharmacology and Molecular Docking Analyses of Colorectal and Ovarian Cancer |
| topic | Agricultural, veterinary and food sciences Crop and pasture production Biological sciences Biochemistry and cell biology Bioinformatics and computational biology Biomedical and clinical sciences Pharmacology and pharmaceutical sciences Chemical sciences Medicinal and biomolecular chemistry Health sciences Traditional, complementary and integrative medicine Rubus ulmifolius Schott GC-MS antifungal activity AChE BChE urease enzyme inhibition anticancer activity network pharmacology molecular docking |