31 results on '"Eshaghi Malekshah, Rahime"'
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2. Insilico assessment of hesperidin on SARS-CoV-2 main protease and RNA polymerase: Molecular docking and dynamics simulation approach
3. A review on application of herbals and their polymer composites in wound healing
4. Simulation-based approaches for drug delivery systems: Navigating advancements, opportunities, and challenges
5. Composites based on alginate containing formylphosphazene-crosslinked chitosan and its Cu(II) complex as an antibiotic-free antibacterial hydrogel dressing with enhanced cytocompatibility
6. Sunlight driven photocatalytic degradation of RhB dye using composite of bismuth oxy-bromide kaolinite BiOBr@Kaol: Experimental and molecular dynamic simulation studies
7. NPs loaded with zoledronic acid as an advanced tool for cancer therapy
8. Solution-phase polyol synthesis and coadsorption MD calculations from faceted platinum nanoparticles: NOVEL NPs‒polymer morphology controlling
9. Synthesis, characterization, spectral studies and evaluation of noncovalent interactions in co-crystal of μ-oxobridged polymeric copper(II) complex derived from pyrazolone by theoretical studies
10. Effect of N-benzyl group in indole scaffold of thiosemicarbazones on the biological activity of their Pd(II) complexes: DFT, biomolecular interactions, in silico docking, ADME and cytotoxicity studies
11. Fabrication and examination of polyorganophosphazene/polycaprolactone-based scaffold with degradation, in vitro and in vivo behaviors suitable for tissue engineering applications
12. Molecular dynamics and quantum simulation of different cationic dyes removal from contaminated water using UiO-66 (Zr)-(COOH)2 metal–organic framework
13. A new insight into catalytic ozonation of sulfasalazine antibiotic by plasma-treated limonite nanostructures: Experimental, modeling and mechanism
14. Synthesis, characterization, cytotoxicity studies, theoretical approach of adsorptive removal and molecular calculations of four new phosphoramide derivatives and related graphene oxide
15. Simulation-Based Approaches for Drug Delivery Systems: Navigating Advancements, Opportunities, and Challenges
16. Crystal structure, molecular docking, and biological activity of the zinc complexes with 2-thenoyltrifluoroacetone and N-donor heterocyclic ligands
17. Insights from molecular dynamics and DFT calculations into the interaction of 1,4-benzodiazepines with 2-hydroxypropyl-βCD in a theoretical study
18. Nanocarriers for methotrexate delivery/codelivery in the frame of cancer diagnostics and treatment: a review
19. The synthetic strategies of COFs, for Drug delivery, Photo/Sono-dynamic, Photo/ Microwave thermal and Combined Therapy
20. Phytic acid-modified graphene/cobalt oxide nanocomposites: synthesis, characterization, theoretical studies, antiproliferative properties, and catalytic activities
21. Syntheses, Characterization of Imidazo[4,5-f][1,10]Phenanthroline Derivative and as (III) Complex, in Vitro Evaluation, the Determine of Apoptosis Mechanism; Theoretical and Quantum Studies
22. Z-Scheme G-C3n4/Fe3o4/Ag3po4@Sep Magnetic Nanocomposites as Heterojunction Photocatalysts for Green Malachite Degradation and Dynamic Molecular Studies
23. Elucidating anticancer drugs release from UiO-66 as a carrier through the computational approaches.
24. Preparation and examination of a scaffold based on hydroxylated polyphosphazene for tissue engineering: In vitro and in vivo studies
25. Anticancer Potential of Copper(I) Acylthiourea Complexes with Triphenylphosphine Against Breast Cancer Cells Via Apoptosis - Biomolecular Interactions and Docking with SARS-CoV-2
26. Cytotoxicity and Apoptosis-Inducing Ability of a Novel Naphthoquinone–Based Phosphoramide: An Experimental and Theoretical Approach
27. Synthesis, Characterization, Biomedical Application, Molecular Dynamic Simulation and Molecular Docking of Schiff Base Complex of Cu(II) Supported on Fe3O4/SiO2/APTS
28. Synthesis and toxicity assessment of Fe3O4 NPs grafted by ∼ NH2-Schiff base as anticancer drug: modeling and proposed molecular mechanism through docking and molecular dynamic simulation
29. Biological studies and computational modeling of two new copper complexes derived from β-diketones and their nano-complexes
30. Synthesis and toxicity assessment of Fe3O4 NPs grafted by ∼ NH2-Schiff base as anticancer drug: modeling and proposed molecular mechanism through docking and molecular dynamic simulation.
31. New mononuclear copper(II) complexes from β-diketone and β-keto ester N-donor heterocyclic ligands: structure, bioactivity, and molecular simulation studies
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