Ali Oubella

Agadir, Morocco

Last Updated: 09/26/2026

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Found 40 publications

Corrigendum to "Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT study" [J. Mol. Graph. Model. 144, (2026) 109299].

Corrigendum to "Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT study" [J. Mol. Graph. Model. 144, (2026) 109299].

Journal: Journal of molecular graphics & modelling

Published: August 16, 2026

Novel isoxazole-(thio-) and semicarbazone hybrids as promising antibacterial and anticancer agents: synthesis, characterization, biological evaluation, and in silico validation.

Novel isoxazole-(thio-) and semicarbazone hybrids as promising antibacterial and anticancer agents: synthesis, characterization, biological evaluation, and in silico validation.

Journal: Future medicinal chemistry

Published: June 12, 2026

Synthesis, molecular modelling, and evaluation of new mono- and bis-isoxazolines as antibacterial agents: in vitro and in silico analysis.

Synthesis, molecular modelling, and evaluation of new mono- and bis-isoxazolines as antibacterial agents: in vitro and in silico analysis.

Journal: RSC advances

Published: December 22, 2025

Exploration of a Novel Thiadiazole Derivative: Design, Synthesis, Biological Evaluation (In Vitro and in Silico), and DFT Studies.

Exploration of a Novel Thiadiazole Derivative: Design, Synthesis, Biological Evaluation (In Vitro and in Silico), and DFT Studies.

Journal: Journal of fluorescence

Published: November 24, 2025

Harnessing formaldehyde detection: novel metal-doped coronene sensors to combat pollution and enable early lung cancer diagnosis.

Harnessing formaldehyde detection: novel metal-doped coronene sensors to combat pollution and enable early lung cancer diagnosis.

Journal: Journal of computer-aided molecular design

Published: November 20, 2025

Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT study.

Boron and nitrogen-doped coronene as high-performance sensors for gamma-hydroxybutyrate drug sensing: A DFT/TD-DFT study.

Journal: Journal of molecular graphics & modelling

Published: November 08, 2025

Totarol-1 Derivative Improves Neuronal Disability in Lead-Induced In Vivo Zebrafish Model.

Totarol-1 Derivative Improves Neuronal Disability in Lead-Induced In Vivo Zebrafish Model.

Journal: Journal of biochemical and molecular toxicology

Published: September 22, 2025

Synthesis, crystal structure, anticancer activity and computational studies of novel Pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidine derivatives as potential anticancer agents.

Synthesis, crystal structure, anticancer activity and computational studies of novel Pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidine derivatives as potential anticancer agents.

Journal: Future medicinal chemistry

Published: August 29, 2025

Exploration of Novel Pyrazole Derivatives: Design, Synthesis, and Integrated Biological Profiling (In Vitro and In Silico) of Their Antioxidant, Antibacterial, and Antimitotic Properties.

Exploration of Novel Pyrazole Derivatives: Design, Synthesis, and Integrated Biological Profiling (In Vitro and In Silico) of Their Antioxidant, Antibacterial, and Antimitotic Properties.

Journal: Journal of fluorescence

Published: July 24, 2025

Triazole-Schiff Base Hybrids as Potential Dual Inhibitors of Bcl-2 and EGFR: Synthesis, Characterization, and Computational Insights.

Triazole-Schiff Base Hybrids as Potential Dual Inhibitors of Bcl-2 and EGFR: Synthesis, Characterization, and Computational Insights.

Journal: Journal of fluorescence

Published: June 30, 2025

Non-invasive breast cancer detection: Leveraging the potential of BN-doped C60 heterofullerene for formaldehyde sensing using DFT theory.

Non-invasive breast cancer detection: Leveraging the potential of BN-doped C60 heterofullerene for formaldehyde sensing using DFT theory.

Journal: Computational biology and chemistry

Published: June 22, 2025

Synthesis, X-ray diffraction, and computational studies of acyclovir and HBG analogs derived from Triazolyl-1,4-benzothiazine and their oxidized forms for breast cancer and SARS-CoV-2.

Synthesis, X-ray diffraction, and computational studies of acyclovir and HBG analogs derived from Triazolyl-1,4-benzothiazine and their oxidized forms for breast cancer and SARS-CoV-2.

Journal: Computational biology and chemistry

Published: February 11, 2025

Showing 1-12 of 40

Last Updated: 09/26/2026