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Computer-Aided Strategy on 5-(Substituted benzylidene) Thiazolidine-2,4-Diones to Develop New and Potent PTP1B Inhibitors: QSAR Modeling, Molecular Docking, Molecular Dynamics, PASS Predictions, and DFT Investigations.
Molecules. 2024 Feb 10;29(4):822. doi: 10.3390/molecules29040822.
Molecules. 2024.
PMID: 38398573
Free PMC article.
Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations.
Abchir O, Khedraoui M, Nour H, Yamari I, Errougui A, Samadi A, Chtita S.
Abchir O, et al.
Pharmaceuticals (Basel). 2024 Feb 19;17(2):261. doi: 10.3390/ph17020261.
Pharmaceuticals (Basel). 2024.
PMID: 38399476
Free PMC article.
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Identification of Potent Acetylcholinesterase Inhibitors as New Candidates for Alzheimer Disease via Virtual Screening, Molecular Docking, Dynamic Simulation, and Molecular Mechanics-Poisson-Boltzmann Surface Area Calculations.
Chennai HY, Belaidi S, Bourougaa L, Ouassaf M, Sinha L, Samadi A, Chtita S.
Chennai HY, et al.
Molecules. 2024 Mar 10;29(6):1232. doi: 10.3390/molecules29061232.
Molecules. 2024.
PMID: 38542869
Free PMC article.
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