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Younesse Ait Elmachkouri

Observed names: Ait Elmachkouri, Younesse, Elmachkouri, Y. Ait, Elmachkouri, Y.A., Elmachkouri, Younesse Ait, Younesse AIT ELMACHKOURI
ORCID: 0000-0002-0685-8011
Observed ORCID: 0000-0002-0685-8011
OpenAlex ID: A5021319246
Crystal structure determination, Hirshfeld surface, crystal void, intermolecular interaction energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-dihydro-1 H -pyrazolo[3,4- d ]pyrimidin-1-yl)acetic acid
2022 · Ezaddine Irrou, Younesse Ait Elmachkouri, et al. · Acta Crystallographica Section E Crystallographic Communications · 30
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Synthesis of novel N4-substituted and C2-disubstituted 1,4-benzothiazine-1,1-dioxide derivatives: Integrative computational strategies for breast cancer therapy
2025 · Ezaddine Irrou, Younesse Ait Elmachkouri, et al. · Journal of Molecular Structure · 25
Synthesis, X-Ray Diffraction, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking Studies, and DFT Calculation of New Pyrazolone Derivatives
2023 · Younesse Ait Elmachkouri, Yusuf Sert, et al. · Polycyclic aromatic compounds · 20
Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation investigations of novel pyrazolopyranopyrimidine derivatives
2023 · Younesse Ait Elmachkouri, Ezaddine Irrou, et al. · Journal of Biomolecular Structure and Dynamics · 19
In-silico studies of pyrazolopyranopyrimidine as a potential anticancer inhibitor: Synthesis, network pharmacology, ADMET prediction, molecular docking, and dynamics simulations
2025 · Younesse Ait Elmachkouri, Ezaddine Irrou, et al. · Journal of Molecular Structure · 18
Synthesis, characterization, DFT, and in-Silico analysis of isoxazole-thiazolidinone hybrids: Reactivity and anticancer potential assessed through pharmacological network, molecular dynamics, molecular docking, and ADMET analysis
2025 · Ali Altharawi, Mohamed Enneiymy, et al. · Journal of Molecular Structure · 15
Crystal structure, Hirshfeld surface and crystal void analysis, intermolecular interaction energies, DFT calculations and energy frameworks of 2 H -benzo[ b ][1,4]thiazin-3(4 H )-one 1,1-dioxide
2023 · Ezaddine Irrou, Younesse Ait Elmachkouri, et al. · Acta Crystallographica Section E Crystallographic Communications · 14
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Design, synthesis, and crystal structure of new C5-substituted pyrazolopyranopyrimidines: In silico studies based on network pharmacology as promising anticancer candidates for lung cancer
2025 · Younesse Ait Elmachkouri, Ezaddine Irrou, et al. · Journal of Molecular Structure · 12
Targeted synthesis via the structure-activity relationship: Biological evaluation of new 1,2,3-triazoles monoterpene as antitumor agents
2024 · Ezaddine Irrou, Younesse Ait Elmachkouri, et al. · Journal of Molecular Structure · 12
Discovery of a new Bcl-2 inhibitor through synthesis, anticancer activity, docking and MD simulations
2023 · Said Byadi, Bimoussa Abdoullah, et al. · Journal of Biomolecular Structure and Dynamics · 12
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
2025 · Ezaddine Irrou, Younesse Ait Elmachkouri, et al. · Computational Biology and Chemistry · 11
Synthesis, X-ray, spectroscopic characterizations, DFT calculations, Hirschfeld surface analyses, molecular docking, and molecular dynamic simulations of some 1,4-benzothiazine-1,1-dioxide derivatives as human kinase CK2 inhibitors
2024 · Ezaddine Irrou, Younesse Ait Elmachkouri, et al. · Journal of Molecular Structure · 11
Crystal structure, Hirshfeld surface analysis and DFT calculations of ethyl 2-[4-(methylsulfanyl)-1 H -pyrazolo[3,4- d ]pyrimidin-1-yl]acetate
2022 · Younesse Ait Elmachkouri, Ezaddine Irrou, et al. · Acta Crystallographica Section E Crystallographic Communications · 9
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Synthesis of Some Acyclonucleosides Analogs of 1,4‐Benzothiazine and Their Sulfonates Derivatives: Crystal Structure, Spectroscopic Characterization, DFT Calculations, Hirshfeld Surface Analysis, and Molecular Docking With Mycobacterium tuberculosis
2025 · Ezaddine Irrou, Younesse Ait Elmachkouri, et al. · Journal of Heterocyclic Chemistry · 7
Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 1-decyl-2,3-dihydro-1H-benzimidazol-2-one
2021 · Younesse Ait Elmachkouri, Asmaa Saber, et al. · Acta Crystallographica Section E Crystallographic Communications · 7
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Effectiveness of a novel C4-substituted heterocyclic organic pyrazolone as a corrosion inhibitor for mild steel in 1.0 M HCl: electrochemical, surface analytical and theoretical studies
2025 · Youssef Adnan, Younesse Ait Elmachkouri, et al. · RSC Advances · 6
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Crystal structure, Hirshfeld surface analysis, crystal voids, interaction energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hydroxy-5-methyl-1 H -pyrazol-4-yl)-3-phenylpropanoate
2024 · Younesse Ait Elmachkouri, Ezaddine Irrou, et al. · Acta Crystallographica Section E Crystallographic Communications · 6
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Study of the anti-corrosion properties of a novel chloro C4-substituted heterocyclic organic pyrazolone for mild steel in HCl solution
2025 · Adnan Youssef, Fatima Ennafaa, et al. · Journal of Molecular Structure · 5
Functionalized Aromatic Sulfones from 1,4‐Benzothiazine‐3‐one‐1,1‐Dioxide: Design, Synthesis, Crystal Structure, and In Silico Evaluation Against SARS‐CoV‐2 Proteins
2025 · Ezaddine Irrou, Younesse Ait Elmachkouri, et al. · ChemistrySelect · 4
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
2025 · Younesse Ait Elmachkouri, Ezaddine Irrou, et al. · Future Medicinal Chemistry · 4
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Synthesis, molecular structure, spectroscopic, electronic properties, molecular docking, and molecular dynamics studies on novel 1,2,3-triazole-thiosemicarbazone: A potent breast cancer drug
2025 · Younesse Ait Elmachkouri, R. Rajesh, et al. · Computational Biology and Chemistry · 4
Triazole–Schiff Base Hybrids as Potential Dual Inhibitors of Bcl-2 and EGFR: Synthesis, Characterization, and Computational Insights
2025 · Mohamed Enneiymy, Abd Elaziz Rahhou, et al. · Journal of Fluorescence · 3
Synthesis and biological profiling of novel pyrazoles as antioxidant, antibacterial, and antimitotic agents: An in vitro and in silico approach
2025 · Mohammad Azhar Kamal, Mohiuddin Khan Warsi, et al. · Arabian Journal of Chemistry · 2
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Design, Synthesis, and In Vitro, and In Silico Evaluation of N2‐ and/or C5‐Substituted Pyrazolo[4′,3′:5,6]Pyrano[2,3‐ d ]Pyrimidine Derivatives as Promising Anticancer Agents Targeting Leukemia and Breast Cancer
2025 · Younesse Ait Elmachkouri, Ezaddine Irrou, et al. · ChemistrySelect · 2
Synthesis, Crystal Structure, Molecular Docking, and Molecular Dynamics Simulations of 2,5‐Substituted Pyrazolo[4′,3′:5,6]Pyrano[2,3‐ d ]Pyrimidines as Selective Ligands for Adenosine A 1 and A 2A Receptors
2025 · Younesse Ait Elmachkouri, Ezaddine Irrou, et al. · Journal of Heterocyclic Chemistry · 2
Works count: 42
Citation count: 262
H-index: 11
I10-index: 12
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