GC/MS analysis and computational evaluation of C. cinerea EO constituents for colorectal cancer: Molecular docking, dynamics, and quantum chemical insights into Cis-Verbenyl acetate.
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| Title: | GC/MS analysis and computational evaluation of C. cinerea EO constituents for colorectal cancer: Molecular docking, dynamics, and quantum chemical insights into Cis-Verbenyl acetate. |
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| Authors: | Samah B; Department of Chemistry, Faculty of Exact Sciences, University of Echahid Hamma Lakhdar El-Oued, P.O. Box 789, El Oued 39000, Algeria; Laboratory of Applied Organic Chemistry, Badji-Mokhtar University, P.O. Box 12, Annaba 23000, Algeria. Electronic address: bouchagra-samah@univ-loued.dz., Lanez E; University of El Oued, Faculty of exact Sciences, Department of Chemistry, VTRS Laboratory, B.P.789, El Oued 39000, Algeria. Electronic address: lanez-elhafnaoui@univ-eloued.dz., Larbi Benamor M; University of El Oued, Faculty of exact Sciences, Department of Chemistry, VTRS Laboratory, B.P.789, El Oued 39000, Algeria. Electronic address: benamor-mohmmedlarbi@univ-eloued.dz., Bekkar Y; University of El Oued, Faculty of exact Sciences, Department of Chemistry, VTRS Laboratory, B.P.789, El Oued 39000, Algeria. Electronic address: yahia-bekkar@univ-eloued.dz., Neghmouche Nacer S; Department of Chemistry, Faculty of Exact Sciences, University of Echahid Hamma Lakhdar El-Oued, P.O. Box 789, El Oued 39000, Algeria. Electronic address: neghmouchenacer-salah@univ-eloued.dz., Bourougaa L; University of Biskra, Faculty of Exact and Natural Sciences, Department of Matter Sciences, Laboratory of Molecular Chemistry and Environment (LMCE), BP 145, Biskra 707000, Algeria. Electronic address: lotfi.bourougaa@univ-biskra.dz., Bouraoui R; University of Batna-1, Faculty of Material Sciences, Department of Chemistry, Laboratory of Chemistry and Environmental Chemistry (LCCE), Batna, Algeria. Electronic address: rania.bouraoui@univ-batna.dz., Garzoli S; Department of Chemistry and Technologies of Drug, Sapienza University, P. le Aldo Moro, 5, Rome 00185, Italy. Electronic address: stefania.garzoli@uniroma1.it., Lanez T; Department of Chemistry, Faculty of Exact Sciences, University of Echahid Hamma Lakhdar El-Oued, P.O. Box 789, El Oued 39000, Algeria. Electronic address: touhami-lanez@univ-eloued.dz. |
| Source: | Computational biology and chemistry [Comput Biol Chem] 2026 Feb; Vol. 120 (Pt 2), pp. 108754. Date of Electronic Publication: 2025 Oct 28. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Elsevier Country of Publication: England NLM ID: 101157394 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-928X (Electronic) Linking ISSN: 14769271 NLM ISO Abbreviation: Comput Biol Chem Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 41172603 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: GC/MS analysis and computational evaluation of C. cinerea EO constituents for colorectal cancer: Molecular docking, dynamics, and quantum chemical insights into Cis-Verbenyl acetate. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Samah+B%22">Samah B</searchLink>; Department of Chemistry, Faculty of Exact Sciences, University of Echahid Hamma Lakhdar El-Oued, P.O. Box 789, El Oued 39000, Algeria; Laboratory of Applied Organic Chemistry, Badji-Mokhtar University, P.O. Box 12, Annaba 23000, Algeria. Electronic address: bouchagra-samah@univ-loued.dz.<br /><searchLink fieldCode="AU" term="%22Lanez+E%22">Lanez E</searchLink>; University of El Oued, Faculty of exact Sciences, Department of Chemistry, VTRS Laboratory, B.P.789, El Oued 39000, Algeria. Electronic address: lanez-elhafnaoui@univ-eloued.dz.<br /><searchLink fieldCode="AU" term="%22Larbi+Benamor+M%22">Larbi Benamor M</searchLink>; University of El Oued, Faculty of exact Sciences, Department of Chemistry, VTRS Laboratory, B.P.789, El Oued 39000, Algeria. Electronic address: benamor-mohmmedlarbi@univ-eloued.dz.<br /><searchLink fieldCode="AU" term="%22Bekkar+Y%22">Bekkar Y</searchLink>; University of El Oued, Faculty of exact Sciences, Department of Chemistry, VTRS Laboratory, B.P.789, El Oued 39000, Algeria. Electronic address: yahia-bekkar@univ-eloued.dz.<br /><searchLink fieldCode="AU" term="%22Neghmouche+Nacer+S%22">Neghmouche Nacer S</searchLink>; Department of Chemistry, Faculty of Exact Sciences, University of Echahid Hamma Lakhdar El-Oued, P.O. Box 789, El Oued 39000, Algeria. Electronic address: neghmouchenacer-salah@univ-eloued.dz.<br /><searchLink fieldCode="AU" term="%22Bourougaa+L%22">Bourougaa L</searchLink>; University of Biskra, Faculty of Exact and Natural Sciences, Department of Matter Sciences, Laboratory of Molecular Chemistry and Environment (LMCE), BP 145, Biskra 707000, Algeria. Electronic address: lotfi.bourougaa@univ-biskra.dz.<br /><searchLink fieldCode="AU" term="%22Bouraoui+R%22">Bouraoui R</searchLink>; University of Batna-1, Faculty of Material Sciences, Department of Chemistry, Laboratory of Chemistry and Environmental Chemistry (LCCE), Batna, Algeria. Electronic address: rania.bouraoui@univ-batna.dz.<br /><searchLink fieldCode="AU" term="%22Garzoli+S%22">Garzoli S</searchLink>; Department of Chemistry and Technologies of Drug, Sapienza University, P. le Aldo Moro, 5, Rome 00185, Italy. Electronic address: stefania.garzoli@uniroma1.it.<br /><searchLink fieldCode="AU" term="%22Lanez+T%22">Lanez T</searchLink>; Department of Chemistry, Faculty of Exact Sciences, University of Echahid Hamma Lakhdar El-Oued, P.O. Box 789, El Oued 39000, Algeria. Electronic address: touhami-lanez@univ-eloued.dz. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22101157394%22">Computational biology and chemistry</searchLink> [Comput Biol Chem] 2026 Feb; Vol. 120 (Pt 2), pp. 108754. <i>Date of Electronic Publication: </i>2025 Oct 28. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Elsevier%22">Elsevier </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>101157394 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1476-928X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2214769271%22">14769271 </searchLink><i>NLM ISO Abbreviation: </i>Comput Biol Chem <i>Subsets: </i>MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=41172603 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.compbiolchem.2025.108754 Languages: – Code: eng Text: English PhysicalDescription: Pagination: StartPage: 108754 Titles: – TitleFull: GC/MS analysis and computational evaluation of C. cinerea EO constituents for colorectal cancer: Molecular docking, dynamics, and quantum chemical insights into Cis-Verbenyl acetate. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Samah B – PersonEntity: Name: NameFull: Lanez E – PersonEntity: Name: NameFull: Larbi Benamor M – PersonEntity: Name: NameFull: Bekkar Y – PersonEntity: Name: NameFull: Neghmouche Nacer S – PersonEntity: Name: NameFull: Bourougaa L – PersonEntity: Name: NameFull: Bouraoui R – PersonEntity: Name: NameFull: Garzoli S – PersonEntity: Name: NameFull: Lanez T IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 02 Text: 2026 Feb Type: published Y: 2026 Identifiers: – Type: issn-electronic Value: 1476-928X Numbering: – Type: volume Value: 120 – Type: issue Value: Pt 2 Titles: – TitleFull: Computational biology and chemistry Type: main |
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