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Exploring Toxins for Hunting SARS-CoV-2 Main Protease Inhibitors: Molecular Docking, Molecular Dynamics, Pharmacokinetic Properties, and Reactome Study.
Ibrahim MAA, Abdelrahman AHM, Jaragh-Alhadad LA, Atia MAM, Alzahrani OR, Ahmed MN, Moustafa MS, Soliman MES, Shawky AM, Paré PW, Hegazy MF, Sidhom PA. Ibrahim MAA, et al. Pharmaceuticals (Basel). 2022 Jan 27;15(2):153. doi: 10.3390/ph15020153. Pharmaceuticals (Basel). 2022. PMID: 35215266 Free PMC article.
Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study.
Ibrahim MAA, Abdeljawaad KAA, Abdelrahman AHM, Jaragh-Alhadad LA, Oraby HF, Elkaeed EB, Mekhemer GAH, Gabr GA, Shawky AM, Sidhom PA, Soliman MES, Moustafa MF, Paré PW, Hegazy MF. Ibrahim MAA, et al. Molecules. 2022 May 12;27(10):3104. doi: 10.3390/molecules27103104. Molecules. 2022. PMID: 35630581 Free PMC article.
Pyronaridine as a Bromodomain-Containing Protein 4-N-Terminal Bromodomain (BRD4-BD1) Inhibitor: In Silico Database Mining, Molecular Docking, and Molecular Dynamics Simulation.
Ibrahim MAA, Abdelhamid MMH, Abdeljawaad KAA, Abdelrahman AHM, Mekhemer GAH, Sidhom PA, Sayed SRM, Paré PW, Hegazy MF, Shoeib T. Ibrahim MAA, et al. Among authors: pare pw. Molecules. 2023 Jul 28;28(15):5713. doi: 10.3390/molecules28155713. Molecules. 2023. PMID: 37570684 Free PMC article.
Feature-Based Molecular Networking for the Exploration of the Metabolome Diversity of Common Egyptian Centaurea Species in Relation to Their Cytotoxic Activity.
Reda EH, Hegazi NM, Marzouk M, Shakour ZTA, El-Halawany AM, El-Kashoury EA, Mohamed TA, Ibrahim MAA, Shams KA, Abdel-Azim NS, Kampf CJ, Efferth T, Paré PW, Hegazy MF. Reda EH, et al. Molecules. 2023 Jan 9;28(2):674. doi: 10.3390/molecules28020674. Molecules. 2023. PMID: 36677732 Free PMC article.
731 results