Work

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

Year: 2026

Type: article

Source: Journal of Molecular Graphics and Modelling

DOI: 10.1016/j.jmgm.2026.109330

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 Touzani

Institutions: Mohamed I University, Université de Lille, Université Sultan Moulay Slimane, Imam Mohammad ibn Saud Islamic University

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Drug Discovery

Field: Pharmacology, Toxicology and Pharmaceutics

Domain: Life Sciences

Open Access status: closed

Funders: Deanship of Scientific Research, Imam Mohammed Ibn Saud Islamic University, Imam Mohammed Ibn Saud Islamic University

Award: G77323558

OpenAlex ID: W7129620145

FWCI: 19.07

Cites: 40

Cited by: 12

Related to: 10