Ezaddine Irrou

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<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl)acetic acid

Ezaddine Irrou, Younesse Ait Elmachkouri, Ali Oubella et al. · Acta Crystallographica Section E Crystallographic Communications · 2022 · 26 citations · Full text

Synthesis, X-Ray Diffraction, Spectroscopic Characterization, Hirshfeld Surface Analysis, Molecular Docking Studies, and DFT Calculation of New Pyrazolone Derivatives

Younesse Ait Elmachkouri, Yusuf Sert, Ezaddine Irrou et al. · Polycyclic aromatic compounds · 2023 · 15 citations

Combinatorial Chemistry, Organic Chemistry, New Pyrazolone Derivatives +18

Synthesis of novel N4-substituted and C2-disubstituted 1,4-benzothiazine-1,1-dioxide derivatives: Integrative computational strategies for breast cancer therapy

Ezaddine Irrou, Younesse Ait Elmachkouri, Soukaina El Haddad et al. · Journal of Molecular Structure · 2025 · 15 citations

Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation investigations of novel pyrazolopyranopyrimidine derivatives

Younesse Ait Elmachkouri, Ezaddine Irrou, A. Thiruvalluvar et al. · Journal of Biomolecular Structure and Dynamics · 2023 · 14 citations

Discovery of a new Bcl-2 inhibitor through synthesis, anticancer activity, docking and MD simulations

Said Byadi, Abdoullah Bimoussa, Mourad Fawzi et al. · Journal of Biomolecular Structure and Dynamics · 2023 · 10 citations