Browsing by Author "Bouaziz-Terrachet, Souhila"

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Analgesic effect of Centaurium erythraea and molecular docking investigation of the major component swertiamarin
(Taylor and Francis, 2023) Chabane, Sarra; Boudjelal, Amel; Bouaziz-Terrachet, Souhila; Spinozzi, Eleonora; Maggi, Filippo; Petrelli, Riccardo; Tail, Ghania
Centaurium erythraea Rafn is employed in Algerian traditional medicine for treating pain. The analgesic activity of the ethanolic extract (EE) from the flowering aerial parts of this plant was examined, and molecular docking of the main bioactive compound was performed. The EE, characterised by the iridoid swertiamarin, was administered to Wistar albino rats in pain models. Peripheral analgesic activity was evaluated using the acetic acid-induced writhing test, and a hot plate test was performed for central antinociceptive activity evaluation. Treatment with EE significantly decreased rats’ writhing induced by acetic acid suggesting peripheral analgesic activity. Furthermore, the elevation of mean basal reaction time in the hot plate method indicated central analgesic activity. Molecular docking studies showed good docking energy with acceptable binding interactions of swertiamarin with cyclooxygenase-2 protein. This supports the analgesic activity of C. erythraea EE, justifying the traditional use of the plant as an analgesic herbal remedy.
Clinical characteristics of Algerian subjects with MODY p.R85W glucokinase mutation- in silico assessment of p.R85W effect on glucokinase structure and function
(Elsevier, 2018) Bouldjennet, F.; Hireche, A.; Kechout, N.; Bouaziz-Terrachet, Souhila; Azzouz, M.; Mihoubi, Esma; Aissou, Abdallah; Touil-Boukoffa, C.; Attal, Nabila; Raache, Rachida
Design and one-pot synthesis of some new [3,5-di(4’,5’-diphenyl-2’-substituted)-1h-imidazol-1-yl]]-1h-1,2,4-triazole derivatives: In silico admet and docking study, antibacterial and antifungal activities evaluation
(Japan Institute of Heterocyclic Chemistry, 2021) Hadhoum, N.; Hadjadj-Aoul, F.Z.; Hocine, Smain; Bouaziz-Terrachet, Souhila; Abdoun, A.; Seklaoui, N.; Boubrit, F.; Abderrahim, W.; Mekacher, L.R.
In this paper, a new series of some [3,5-di(4’,5’-diphenyl-2’-substituted)-1H-imidazol-1-yl)]-1H-1,2,4-triazole derivatives (C1-C9) were efficiently synthesized by a one-pot three component reaction via a coupling of benzil, aldehydes and 3,5-diamino-1,2,4-triazole and using ceric ammonium nitrate as a catalyst. The structures of the newly compounds were investigated by IR, 1H NMR, 13C NMR and UV-visible spectroscopy. The in vitro antibacterial and antifungal activities showed that the C9 is the most active compound. The C9 docking study revealed the best mode of binding in the active site of the cytochrome P450 lanosterol 14α-demethylase. All the synthesized compounds were predicted as non-carcinogens and demonstrated acceptable pharmacokinetic profile in blood brain barrier (BBB) and human intestinal absorption (HIA)
Theoretical investigation of dicarboxamide mono copper (II) and novel transition metal complexes : structural, chemical reactivity, vibrational and in-silico biological analysis
(Elsevier, 2019) Guechtouli, N.; Zaater, S.; Kichou, N.; Bouaziz-Terrachet, Souhila; Meghezzi, H.
We are interested to the theoretical investigation of new synthesized dicarboxamide mono copper(II) complex, and other hypothetical one by modifying the transition metal by another one of the same series as (Mn(II), Fe(II), Fe(III), Co(II), Co(III), Cu(II), Ni(II) and Zn(II)). The aim of this study is to predict other stable complexes which can be synthesized and which would have comparable or better biological activity than that obtained experimentally, and predict their synthesis. For this purpose, structural, energetic, spectroscopic (IR, UV–Visible and NMR) properties have been evaluated at the DFT level. The stability of the considered complexes has been studied in the basis of the binding energies. The in-silico biological properties and chemical reactivity descriptors of hypothetical and synthesized compounds have been calculated and discussed