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Identifying novel aryl hydrocarbon receptor (AhR) modulators from clinically approved drugs: In silico screening and In vitro validation.
Arch Biochem Biophys. 2024 Apr;754:109958. doi: 10.1016/j.abb.2024.109958. Epub 2024 Mar 16.
Arch Biochem Biophys. 2024.
PMID: 38499054
Free article.
Comparing the oxidative functions of neutrophil myeloperoxidase and cytochrome P450 enzymes in drug metabolism.
Tran NH, Mosa FES, Barakat K, El-Kadi AOS, Whittal R, Siraki AG.
Tran NH, et al. Among authors: mosa fes.
Chem Biol Interact. 2024 Apr 1;392:110942. doi: 10.1016/j.cbi.2024.110942. Epub 2024 Mar 7.
Chem Biol Interact. 2024.
PMID: 38458309
Free article.
Review.
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Investigating the Aryl Hydrocarbon Receptor Agonist/Antagonist Conformational Switch Using Well-Tempered Metadynamics Simulations.
Mosa FES, AlRawashdeh S, El-Kadi AOS, Barakat K.
Mosa FES, et al.
J Chem Inf Model. 2024 Mar 25;64(6):2021-2034. doi: 10.1021/acs.jcim.4c00169. Epub 2024 Mar 8.
J Chem Inf Model. 2024.
PMID: 38457778
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16R-HETE and 16S-HETE alter human cytochrome P450 1B1 enzyme activity probably through an allosteric mechanism.
Hidayat R, Shoieb SM, Mosa FES, Barakat K, Brocks DR, Isse FA, Gerges SH, El-Kadi AOS.
Hidayat R, et al. Among authors: mosa fes.
Mol Cell Biochem. 2023 Jul 12. doi: 10.1007/s11010-023-04801-4. Online ahead of print.
Mol Cell Biochem. 2023.
PMID: 37436655
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In-depth analysis of the interactions of various aryl hydrocarbon receptor ligands from a computational perspective.
Mosa FES, El-Kadi AOS, Barakat K.
Mosa FES, et al.
J Mol Graph Model. 2023 Jan;118:108339. doi: 10.1016/j.jmgm.2022.108339. Epub 2022 Sep 24.
J Mol Graph Model. 2023.
PMID: 36183684
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Assessing Molecular Docking Tools to Guide the Design of Polymeric Materials Formulations: A Case Study of Canola and Soybean Protein.
Abookleesh F, Mosa FES, Barakat K, Ullah A.
Abookleesh F, et al. Among authors: mosa fes.
Polymers (Basel). 2022 Sep 5;14(17):3690. doi: 10.3390/polym14173690.
Polymers (Basel). 2022.
PMID: 36080764
Free PMC article.
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Effects of selective calcium channel blockers on ions' permeation through the human Cav1.2 ion channel: A computational study.
Mosa FES, C S, Feng T, Barakat K.
Mosa FES, et al.
J Mol Graph Model. 2021 Jan;102:107776. doi: 10.1016/j.jmgm.2020.107776. Epub 2020 Oct 22.
J Mol Graph Model. 2021.
PMID: 33137694
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