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 |
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