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Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations.
Pharmaceuticals (Basel). 2024 Feb 19;17(2):261. doi: 10.3390/ph17020261.
Pharmaceuticals (Basel). 2024.
PMID: 38399476
Free PMC article.
Insights into the inhibitory potential of novel hydrazinyl thiazole-linked indenoquinoxaline against alpha-amylase: a comprehensive QSAR, pharmacokinetic, and molecular modeling study.
Abchir O, Yamari I, Shtaiwi AM, Nour H, Kouali ME, Talbi M, Errougui A, Chtita S.
Abchir O, et al. Among authors: errougui a.
J Biomol Struct Dyn. 2024 Feb 2:1-18. doi: 10.1080/07391102.2024.2310778. Online ahead of print.
J Biomol Struct Dyn. 2024.
PMID: 38305802
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Structure-based virtual screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates for the SARS-CoV-2 inhibitors.
Abchir O, Nour H, Daoui O, Yamari I, ElKhattabi S, El Kouali M, Talbi M, Errougui A, Chtita S.
Abchir O, et al. Among authors: errougui a.
Nat Prod Res. 2023 Nov 15:1-8. doi: 10.1080/14786419.2023.2281002. Online ahead of print.
Nat Prod Res. 2023.
PMID: 37966948
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The anti-SARS-CoV-2 activity of novel 9, 10-dihydrophenanthrene derivatives: an insight into molecular docking, ADMET analysis, and molecular dynamics simulation.
Yamari I, Abchir O, Mali SN, Errougui A, Talbi M, Kouali ME, Chtita S.
Yamari I, et al. Among authors: errougui a.
Sci Afr. 2023 Sep;21:e01754. doi: 10.1016/j.sciaf.2023.e01754. Epub 2023 Jun 13.
Sci Afr. 2023.
PMID: 37332393
Free PMC article.
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