Multiscale in-silico profiling of phenoxy-acetamide: integrated ADME–Tox assessment, multi-target docking, molecular-dynamics validation, and Hirshfeld crystal analysis for antibacterial lead optimization

Journal of Molecular Graphics and Modelling 2026

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Authors: Abdessamad Benabbou, Oussama Khibech, Youssef Draoui, Mohamed Bouhrim, Hossni Ziyat, Mohammed Al‐Zharani, Fahd A. Nasr, Ashraf Ahmed Qurtam, Said Abadi, Allal Challioui, Mohamed Anouar Harrad, Rachid S. Touzani
DOI: 10.1016/j.jmgm.2026.109330
Cited by: 6
References: 40

Fields of Study & Subjects

Computational Drug Discovery Methods Crystallography and molecular interactions Graphene and Nanomaterials Applications

Publication details

Journal / source
Journal of Molecular Graphics and Modelling
Publisher
Elsevier BV
Volume
144
Pages
109330–109330
Publication date
17 February 2026
Language
EN