(E)-N'-(4-chlorobenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide as a potential PI3Kα targeting scaffold, synthesis, X-ray crystallography, DFT, molecular docking, molecular dynamics simulations, and MMGBSA analysis

Issam Ameziane El Hassani; Mustafa Alhaji Isa; Anouar Ameziane El Hassani; Cemile Baydere Demir; Necmİ Dege; Abdullah Yahya Abdullah Alzahrani; Abidemi Paul Kappo; M’hammed Ansar; Khalid Karrouchi

doi:10.1016/j.molstruc.2026.145569

(E)-N'-(4-chlorobenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide as a potential PI3Kα targeting scaffold, synthesis, X-ray crystallography, DFT, molecular docking, molecular dynamics simulations, and MMGBSA analysis

Journal of Molecular Structure 2026

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Authors: Issam Ameziane El Hassani, Mustafa Alhaji Isa, Anouar Ameziane El Hassani, Cemile Baydere Demir, Necmİ Dege, Abdullah Yahya Abdullah Alzahrani, Abidemi Paul Kappo, M’hammed Ansar, Khalid Karrouchi

DOI: 10.1016/j.molstruc.2026.145569

Cited by: 3

References: 64

Fields of Study & Subjects

PI3K/AKT/mTOR signaling in cancer Synthesis and biological activity Melanoma and MAPK Pathways

Publication details

Journal / source: Journal of Molecular Structure
Publisher: Elsevier BV
Volume: 1359
Pages: 145569–145569
Publication date: 2 February 2026
Language: EN

References 64