Works matching AU Elkhattabi, Souad
Results: 11
New small organic molecules based on thieno[2,3-b]indole for efficient bulk heterojunction organic solar cells: a computational study.
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- Molecular Physics, 2020, v. 118, n. 8, p. 1, doi. 10.1080/00268976.2019.1662956
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Electronic structure and molecular spectroscopic constants of ScN and ScP investigated by several quantum chemistry methods.
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- Molecular Physics, 2003, v. 101, n. 19, p. 2929, doi. 10.1080/00268970310001592773
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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.
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- Natural Product Research, 2024, v. 38, n. 24, p. 4347, doi. 10.1080/14786419.2023.2281002
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Structure‐Based Virtual Screening, ADMET analysis, and Molecular Dynamics Simulation of Moroccan Natural Compounds as Candidates α‐Amylase Inhibitors.
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- ChemistrySelect, 2023, v. 8, n. 26, p. 1, doi. 10.1002/slct.202301092
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Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies.
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- Journal of Molecular Modeling, 2022, v. 28, n. 4, p. 1, doi. 10.1007/s00894-022-05097-9
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Design, Synthesis, and Evaluation of EA-Sulfonamides and Indazole-Sulfonamides as Promising Anticancer Agents: Molecular Docking, ADME Prediction, and Molecular Dynamics Simulations.
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- Chemistry (2624-8549), 2024, v. 6, n. 6, p. 1396, doi. 10.3390/chemistry6060083
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Design of New Benzimidazole‐Indazole Derivatives as Potential FLT3 Inhibitors Using 3D‐QSAR, ADMET, Molecular Docking, MM‐GBSA, and Molecular Dynamics Studies.
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- ChemistrySelect, 2024, v. 9, n. 40, p. 1, doi. 10.1002/slct.202402713
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Design, Synthesis, Computational Studies, and Anti-Proliferative Evaluation of Novel Ethacrynic Acid Derivatives Containing Nitrogen Heterocycle, Urea, and Thiourea Moieties as Anticancer Agents.
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- Molecules, 2024, v. 29, n. 7, p. 1437, doi. 10.3390/molecules29071437
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Ligand-Based Design of Novel Quinoline Derivatives as Potential Anticancer Agents: An In-Silico Virtual Screening Approach.
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- Molecules, 2024, v. 29, n. 2, p. 426, doi. 10.3390/molecules29020426
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A computer-aided drug design approach to explore novel type II inhibitors of c-Met receptor tyrosine kinase for cancer therapy: QSAR, molecular docking, ADMET and molecular dynamics simulations.
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- Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 16, p. 7768, doi. 10.1080/07391102.2022.2124456
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Pharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors.
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- Journal of Biomolecular Structure & Dynamics, 2023, v. 41, n. 16, p. 7712, doi. 10.1080/07391102.2022.2123403
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