| Titre : | Synthesis characterisation antioxidant anti-inflammatory and antibacterial effects of bis- ketone 1,3-Bis (2 acetylphenoxy)-2- propanol : in silico in vitro and in vivo studies |
| Auteurs : | Rabia Harrache, Auteur ; Noureddine Charef, Directeur de thèse ; Ahlem Karbab, Directeur de thèse |
| Type de document : | document électronique |
| Editeur : | Sétif : Université Ferhat Abbas faculté de technologie département de génie de procédés, 2025 |
| ISBN/ISSN/EAN : | E-TH/2531 |
| Format : | 1 vol. (089 f.) / ill. en coul. |
| Note générale : | References |
| Langues: | Français |
| Catégories : | |
| Résumé : |
In this investigation, the bis-ketone 1,3-Bis(2-acetylphenoxy)-2-propanol (Bis-AcPh) was synthesized via the reaction between 1,3-dichloropropanol and2’-hydroxyacetophenone, and differentspectroscopicmodels,includingIR,UV,¹H-NMR,and¹³C-NMR,wereusedtocharacterize its structure. This bis-ketone was screened for its antioxidant effect by performing DPPH radical scavenging and reducingpowermethods.Invitroanti-inflammatoryactivitywasestimatedusingtheeggalbumindenaturationtest, while the topical anti-inflammatory effect was investigated through xylene and croton oil-induced ear edema in mice model. Its antibacterial activity and its cytotoxicity were also tested. On the other hand, sometheoreticalstudieswereperformedthrough DFT,molecular docking, ADMET,andMDSpredictions. The experimental results demonstrate that the molecule exhibited poor antioxidant activity.Whereasthe molecule displayed apotentinvitroandinvivoanti-inflammatoryactivity. It is noteworthy that the hemolytic degree was less than 2%, this indicates a very low cytotoxicity. Also, the compound showed good antibacterial activity against gram (+) bacteria, especiallyStaphylococcus aureus. Regarding the computational studyresults,the Bis-AcPh exhibited thestrongest binding affinityto COX-2 amongall tested compounds, with favorable interactions within the active site. This observation aligns well with the compound’s confirmed anti-inflammatory activity observed in both in vitro and in vivo assays. ADMET predictions confirmed its good oral absorption, drug-likeness, and syntheticaccessibility. Moreover, the toxicityprofilingrevealed a safe profile with nohepatotoxicityor cytotoxicity.Finally, Moleculardynamicsanalyses(MDS)revealedthattheBis-AcPh_COX-2complex exhibited superior overall stability compared to the Aspirin_COX-2 complex. |
| Côte titre : |
E-TH/2531 |
| En ligne : | http://dspace.univ-setif.dz:8888/jspui/retrieve/12992/2531.pdf |
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| Cote | Support | Localisation | Disponibilité |
|---|---|---|---|
| E-TH/2531 | Thèse | Bibliothèque centrale | Disponible |
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