Chtita S - Search Results

1

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. Among authors: chtita s. Molecules. 2024 Mar 10;29(6):1232. doi: 10.3390/molecules29061232. Molecules. 2024. PMID: 38542869 Free PMC article.

2

A comprehensive computational study to explore promising natural bioactive compounds targeting glycosyltransferase MurG in Escherichia coli for potential drug development.

Shtaiwi A, Khan SU, Khedraoui M, Alaraj M, Samadi A, Chtita S. Shtaiwi A, et al. Among authors: chtita s. Sci Rep. 2024 Mar 26;14(1):7098. doi: 10.1038/s41598-024-57702-x. Sci Rep. 2024. PMID: 38532068 Free PMC article.

3

Rational Design of New Small Derivatives of 2,2'-Bithiophene as Hole Transport Material for Perovskite Solar Cells.

Adadi M, Hachi M, Said K, Hassani AAE, Znaki J, Znaki FZ, Benjelloun AT, Chtita S, Khattabi SE. Adadi M, et al. Among authors: chtita s. J Fluoresc. 2024 Mar 6. doi: 10.1007/s10895-024-03644-6. Online ahead of print. J Fluoresc. 2024. PMID: 38446340

4

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. Among authors: chtita s. Pharmaceuticals (Basel). 2024 Feb 19;17(2):261. doi: 10.3390/ph17020261. Pharmaceuticals (Basel). 2024. PMID: 38399476 Free PMC article.

5

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.

Derki NH, Kerassa A, Belaidi S, Derki M, Yamari I, Samadi A, Chtita S. Derki NH, et al. Among authors: chtita s. Molecules. 2024 Feb 10;29(4):822. doi: 10.3390/molecules29040822. Molecules. 2024. PMID: 38398573 Free PMC article.

6

Design of new molecules against cervical cancer using DFT, theoretical spectroscopy, 2D/3D-QSAR, molecular docking, pharmacophore and ADMET investigations.

El Rhabori S, El Aissouq A, Daoui O, Elkhattabi S, Chtita S, Khalil F. El Rhabori S, et al. Among authors: chtita s. Heliyon. 2024 Jan 24;10(3):e24551. doi: 10.1016/j.heliyon.2024.e24551. eCollection 2024 Feb 15. Heliyon. 2024. PMID: 38318045 Free PMC article.

7

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: chtita s. 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

8

Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach.

Mkhayar K, Daoui O, Haloui R, Elkhattabi K, Elabbouchi A, Chtita S, Samadi A, Elkhattabi S. Mkhayar K, et al. Among authors: chtita s. Molecules. 2024 Jan 15;29(2):426. doi: 10.3390/molecules29020426. Molecules. 2024. PMID: 38257339 Free PMC article.

9

Genotoxic effects and mitosis aberrations of chromium (VI) on root cells of Vicia faba and its molecular docking analysis.

Bouhadi M, Abchir O, Yamari I, El Hamsas El Youbi A, Azgaoui A, Chtita S, El Hajjouji H, El Kouali M, Talbi M, Fougrach H. Bouhadi M, et al. Among authors: chtita s. Plant Physiol Biochem. 2024 Feb;207:108361. doi: 10.1016/j.plaphy.2024.108361. Epub 2024 Jan 14. Plant Physiol Biochem. 2024. PMID: 38237423

10

Design of new small molecules derived from indolin-2-one as potent TRKs inhibitors using a computer-aided drug design approach.

Haloui R, Mkhayar K, Daoui O, El Khattabi K, El Abbouchi A, Chtita S, Elkhattabi S. Haloui R, et al. Among authors: chtita s. J Biomol Struct Dyn. 2024 Jan 13:1-18. doi: 10.1080/07391102.2024.2302944. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38217880

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