Publications by authors named "Ali Oubella"

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Non-invasive breast cancer detection: Leveraging the potential of BN-doped C heterofullerene for formaldehyde sensing using DFT theory.
Bharath Kumar Chagaleti, Arafat Toghan, Magdi E A Zaki, Ali Oubella, Reda A Haggam

Comput Biol Chem· February 2026

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Triazole-Schiff Base Hybrids as Potential Dual Inhibitors of Bcl-2 and EGFR: Synthesis, Characterization, and Computational Insights.
Mohamed Enneiymy, Abd Elaziz Rahhou, Younesse Ait Elmachkouri, Ali Hasnaoui, Mohamed Labd Taha, Ali Oubella

J Fluoresc· December 2025

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Exploring spirocyclic isoquinoline-piperidine compounds in tuberculosis therapy: ADMET profiling, docking, DFT, MD simulations, and MMGBSA analysis.
Sri Mounika Bellapukonda, Siva Singothu, Anuradha Singampalli, Rani Bandela, Pardeep Kumar, Ali Oubella

Comput Biol Chem· October 2025

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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.
Ezaddine Irrou, Younesse Ait Elmachkouri, Olivier Blaqcue, Ali Oubella, Md Tabish Rehman

Comput Biol Chem· October 2025

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Synthesis, crystal structure, anticancer activity and computational studies of novel Pyrazolo[4',3':5,6]pyrano[2,3-]pyrimidine derivatives as potential anticancer agents.
Younesse Ait Elmachkouri, Ezaddine Irrou, Imane Yamari, Samir Chtita, Yahya Toubi, Ali Oubella

Future Med Chem· September 2025

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Exploration of Novel Pyrazole Derivatives: Design, Synthesis, and Integrated Biological Profiling (In Vitro and In Silico) of Their Antioxidant, Antibacterial, and Antimitotic Properties.
Muneera S M Al-Saleem, Yousef E Mukhrish, Bharath Kumar Chagaleti, Jehan Y Al-Humaidi, Kathiravan Mk, Ali Oubella

J Fluoresc· September 2025

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COVID-19 detection via isobutyric acid biomarker: A DFT computational study on beryllium-doped C60 fullerene.
Stève-Jonathan Koyambo-Konzapa, Ali Oubella, Ali Altharawi, Taibah Aldakhil

J Mol Graph Model· June 2025

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Novel Bis-1,2,3-triazole-thiazolidinone hybrid as anticancer agents that induce apoptosis and molecular modeling study.
Abdoullah Bimoussa, Ali Oubella, Manal A Alossaimi, Mubashir Aziz, Hafiz Muhammad Attaullah

Future Med Chem· December 2024

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Semicarbazone, thiosemicarbazone tailed isoxazoline-pyrazole: synthesis, DFT, biological and computational assessment.
Abdoullah Bimoussa, Mouhi Eddine Hachim, Khalil El Khatabi, Yassine Laamari, Ali Oubella

Future Med Chem· November 2024

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Multitargeted molecular docking and dynamics simulation studies of 1,3,4-thiadiazoles synthesised from (R)-carvone against specific tumour protein markers: An In-silico study of two diastereoisomers.
Mourad Fawzi, Abdoullah Bimoussa, Yassine Laamari, Muhammed Tilahun Muhammed, Ali Irfan, Ali Oubella

Comput Biol Chem· October 2024

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Thiazolidinone-linked-1,2,3-triazoles with (R)-Carvone as new potential anticancer agents.
Ali Oubella, Manal A Alossaimi, Yassine Riadi, Mashooq Ahmad Bhat, Ahmed Hassan Bakheit

Future Med Chem· August 2024

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Discovery of a new Bcl-2 inhibitor through synthesis, anticancer activity, docking and MD simulations.
Said Byadi, Bimoussa Abdoullah, Mourad Fawzi, Ezaddine Irrou, Younesse Ait Elmachkouri, Ali Oubella

J Biomol Struct Dyn· May 2024

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Hybrids of thiazolidinone with 1,2,3-triazole derivatives: design, synthesis, biological evaluation, studies, molecular docking, molecular dynamics simulations, and ADMET profiling.
Abdoullah Bimoussa, Mourad Fawzi, Ali Oubella, Syeda Abida Ejaz, Muhammad Sajjad Bilal

J Biomol Struct Dyn· December 2023

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New (S)-verbenone-isoxazoline-1,3,4-thiadiazole hybrids: synthesis, anticancer activity and apoptosis-inducing effect.
Mourad Fawzi, Abdoullah Bimoussa, Yassine Laamari, Abdellah N'ait Oussidi, Ali Oubella

Future Med Chem· September 2023

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Chemical profiling, cytotoxic activities through apoptosis induction in human fibrosarcoma and carcinoma cells, and molecular docking of some 1,2,3-triazole-isoxazoline hybrids using the eugenol as a precursors.
Ali Oubella, Abdelmaoujoud Taia, Said Byadi, Marouane Ait Lahcen, Abdoullah Bimoussa

J Biomol Struct Dyn· April 2023

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Cytotoxic and apoptotic effects of some (R)-carvone-isoxazoline derivatives on human fibrosarcoma and carcinoma cells: experimental evaluation for cytotoxicity, molecular docking and molecular dynamics studies.
Ali Oubella, Abdoullah Bimoussa, Said Byadi, Yassine Laamari, Mourad Fawzi

J Biomol Struct Dyn· March 2023

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Novel isoxazoline-linked 1,3,4-thiadiazole hybrids as anticancer agents: Design, synthesis, biological evaluation, molecular docking, and molecular dynamics simulation.
Ali Oubella, Said Byadi, Abdoullah Bimoussa, Mourad Fawzi, Aziz Auhmani

Arch Pharm (Weinheim)· September 2022

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Crystal structure determination, Hirshfeld surface, crystal void, inter-molecular inter-action energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-di-hydro-1-pyra-zolo[3,4-]pyrimidin-1-yl)acetic acid.
Ezaddine Irrou, Younesse Ait Elmachkouri, Ali Oubella, Hassan Ouchtak, Samira Dalbouha

Acta Crystallogr E Crystallogr Commun· September 2022

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Synthesis, characterization, molecular docking, and anticancer activities of new 1,3,4-oxadiazole-5-fluorocytosine hybrid derivatives.
Az-Eddine El Mansouri, Saida Lachhab, Ali Oubella, Mehdi Ahmad, Johan Neyts

J Mol Struct· September 2022

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Crystal structure, Hirshfeld surface analysis and DFT calculations of ()-3-[1-(2-hy-droxy-phenyl-anilino)ethyl-idene]-6-methyl-pyran-2,4-dione.
Imane Faraj, Ali Oubella, Karim Chkirate, Khalil Al Mamari, Tuncer Hökelek

Acta Crystallogr E Crystallogr Commun· August 2022

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Novel Hydrazono-2-Iminothiazolidin-4-Ones Based on a Monoterpenic Skeleton as Potential Antitumor Agents: Synthesis, DFT Studies, in Vitro Cytotoxicity, Apoptosis Inducing Properties and Molecular Docking.
Mourad Fawzi, Ali Oubella, Az-Eddine El Mansouri, Abdoullah Bimoussa, El Mostafa Ketatni

Chem Biodivers· July 2022

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Design, synthesis, evaluation of new 3-acetylisoxazolines and their hybrid analogous as anticancer agents: In vitro and in silico analysis.
Mourad Fawzi, Ali Oubella, Abdoullah Bimoussa, Fatima Zahra Bamou, Zein Alabdeen Khdar

Comput Biol Chem· June 2022

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New 1,3,4-thiadiazoles derivatives: synthesis, antiproliferative activity, molecular docking and molecular dynamics.
Abdoullah Bimoussa, Ali Oubella, Fatima Zahra Bamou, Zein Alabdeen Khdar, Mourad Fawzi

Future Med Chem· June 2022

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New 1,2,3-Triazoles from (R)-Carvone: Synthesis, DFT Mechanistic Study and In Vitro Cytotoxic Evaluation.
Ali Oubella, Abdoullah Bimoussa, Abdellah N'ait Oussidi, Mourad Fawzi, Aziz Auhmani

Molecules· January 2022

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New bis-isoxazole with monoterpenic skeleton: regioselective synthesis, spectroscopic investigation, electrochemical, and density functional theory (DFT) studies.
Ali Oubella, Meryem Hrimla, Mouhi Eddine Hachim, Mourad Fawzi, Abdoullah Bimoussa

Turk J Chem· December 2021

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