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Author

R. Azzallou

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Oct 2026

DFT-based computational screening of the ability of C60-based nanostructures to adsorb the diethylcyclidine drug.

Dieticyclidine (DTC) is a psychoactive compound for which efficient capture and identification remain analytically relevant. In this study, density functional theory calculations were used to comparatively screen pristine C60 and the substitutionally doped BC59 and SiC59 nanocages as candidate platforms for DTC adsorpt...

Samar O. Aljazzar, J. Al-Humaidi, Y. Mukhrish et al. · 0 citations
Aug 2026

Synthesis and in silico evaluation of novel hybrid 1,4-benzothiazine-1,1-dioxide-bis(1,2,3-triazole) derivatives as potential SRC kinase inhibitors via 1,3-dipolar cycloaddition.

Herein, we report the synthesis of new 1,4-benzothiazine-1,1-dioxide derivatives bearing bis(1,2,3-triazole) moieties via click chemistry in good to high yields and fully characterized by 1H NMR, 13C NMR and HRMS. The compounds were evaluated using a combined in silico approach, including physicochemical, pharmacokinet...

Ezaddine Irrou, Chagaleti Bharath Kumar, Y. Riadi et al. · 0 citations

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