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Pharmaceuticals (Basel, Switzerland)|January 8, 2025
Evaluating the Binding Potential and Stability of Drug-like Compounds with the Monkeypox Virus VP39 Protein Using Molecular Dynamics Simulations and Free Energy AnalysisAhmed M Hassan, Hattan S Gattan, Arwa A Faizo, et al.
Journal of Biomolecular Structure & Dynamics|December 4, 2024
Machine learning-aided identification of natural compounds targeting Marburg virus VP40 with potential antiviral activityAhmed M Hassan, Leena H Bajrai, Mai M El-Daly, et al.
Frontiers in Cellular and Infection Microbiology|February 19, 2025
Overcoming beta-lactam resistance in Pseudomonas aeruginosa by targeting metallo-beta-lactamase VIM-1: a one-microsecond molecular dynamics simulation studyMohammed Salleh M Ardawi, Samar A Badreddine, Muhammad Yasir, et al.
BMC Chemistry|July 31, 2024
Marine fungal diversity unlocks potent antivirals against monkeypox through methyltransferase inhibition revealed by molecular dynamics and free energy landscapeAzzah S Alharbi, Sarah A Altwaim, Mai M El-Daly, et al.
Frontiers in Pharmacology|August 13, 2024
Unearthing phytochemicals as natural inhibitors for pantothenate synthetase in Mycobacterium tuberculosis: A computational approachMandeep Chouhan, Prashant Kumar Tiwari, Richa Mishra, et al.
Viruses|July 29, 2023
Investigating the Mechanism of Action of Anti-Dengue Compounds as Potential Binders of Zika Virus RNA-Dependent RNA PolymeraseThamir A Alandijany, Mai M El-Daly, Ahmed M Tolah, et al.
Viruses|March 6, 2021
Structure-Based Identification of Natural Products as SARS-CoV-2 Mpro Antagonist from Echinacea angustifolia Using Computational ApproachesShiv Bharadwaj, Sherif Aly El-Kafrawy, Thamir A Alandijany, et al.
Naunyn-Schmiedeberg'S Archives of Pharmacology|November 20, 2025
Quercetin as a promising HIS-C inhibitor and novel therapeutic against antibacterial drug-resistant Acinetobacter baumannii: in vitro and in silico insightsMohammed Salleh M Ardawi, Samar A Badreddine, Muhammad Yasir, et al.
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