146 results on '"Abdou, Aly"'
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2. A selective colorimetric chemosensor for detecting Ni(II) in aqueous solutions based on 4-[{[4-(3-chlorophenyl)-1,3-thiazol-2-yl]hydrazono}methyl]phenyl 4-methyl benzene sulfonate (CTHMBS)
3. An efficient eco-friendly, simple, and green synthesis of some new spiro-N-(4-sulfamoyl-phenyl)-1,3,4-thiadiazole-2-carboxamide derivatives as potential inhibitors of SARS-CoV-2 proteases: drug-likeness, pharmacophore, molecular docking, and DFT exploration
4. Design and DFT calculations of optoelectronic material based on thiazolobenzimidazole-coupled isatin derivatives
5. Exploring the molecular structure and in vitro biological potential of newly synthesized Fe(III), Co(II), and Ni(II) coordination compounds with 2-(pyridin-2-yl)-1H-benzimidazole and phenylalanine ligands
6. Fabrication, physicochemical characterization and theoretical studies of some new mixed ligands complexes based on N-(1H-benzimidazol-2-yl)-guanidine and 1, 10-phenanthroline: DNA interaction, biological applications and molecular docking approach
7. Two new Cr(III) (C1) and Fe(III) (C2) complexes incorporating 2,6-pyridinedicarboxylic acid (PDC) and 2-methyl-1H-benzimidazole (MB): Synthesis, structure, DFT and phenoxazinone synthase mimicking activity
8. New phthalazine based nickel (II), cobalt (II), and copper (II) mixed-ligand complexes; characterization, physicochemical properties, anti-inflammatory, antifungal, antibacterial, DFT and molecular docking exploration
9. Design, Characterization, and DFT exploration of new mononuclear Fe(III) and Co(II) complexes based on Isatin-hydrazone derivative: Anti-inflammatory profiling and molecular docking insights
10. Fabrication, structural, DFT, biological and molecular docking studies of Fe(III), Ni(II), and Cu(II) complexes based on Schiff-base derived from benzene-1,4-diamine and 2-hydroxy-1-naphthaldehyde
11. Synthesis, characterization, molecular docking, and antimicrobial activities of some new sulfur containing norfloxacin analogues
12. Design, synthesis of new mixed azo-hydroxyquinoline complexes; in vitro anti-inflammatory, antifungal, antibacterial, theoretical, and molecular docking interactions Investigation
13. Green synthesis, biological and molecular docking of some novel sulfonamide thiadiazole derivatives as potential insecticidal against Spodoptera littoralis
14. A novel colorimetric chemosensor based on 2-[(carbamothioylhydrazono) methyl]phenyl 4-methylbenzenesulfonate (CHMPMBS) for the detection of Cu(II) in aqueous medium
15. Designing, DFT, biological, & molecular docking analysis of new Iron(III) & copper(II) complexes incorporating 1-{[-(2-Hydroxyphenyl)methylene]amino}−5,5-diphenylimidazolidine-2,4-dione (PHNS)
16. Synthesis, characterization, DFT, biological activity evaluation, and molecular docking analysis of new 8-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid based complexes
17. Lower rim thiacalixarenes derivatives incorporating multiple coordinating carbonyl groups: Synthesis, characterization, ion-responsive ability and DFT computational analysis
18. Development of new 2-(Benzothiazol-2-ylimino)-2,3-dihydro-1H-imidazol-4-ol complexes as a robust catalysts for synthesis of thiazole 6-carbonitrile derivatives supported by DFT studies
19. Fabrication, structural elucidation of some new metal chelates based on N-(1H-Benzoimidazol-2-yl)-guanidine ligand: DNA interaction, pharmaceutical studies and molecular docking approach
20. Synthesis, spectral studies, DFT, biological evaluation, molecular docking and dyeing performance of 1-(4-((2-amino-5-methoxy)diazenyl)phenyl) ethanone complexes with some metallic ions
21. Comparison of the binding energies of approved mpox drugs and phytochemicals through molecular docking, molecular dynamics simulation, and ADMET studies: An in silico approach
22. Designing, characterization, biological, DFT, and molecular docking analysis for new FeAZD, NiAZD, and CuAZD complexes incorporating 1-(2-hydroxyphenylazo)− 2-naphthol (H2AZD)
23. Ni(II), Pd(II) and Pt(II) complexes with SNO-group thiosemicarbazone and DMSO: Synthesis, characterization, DFT, molecular docking and cytotoxicity
24. Synthesis, physicochemical properties, biological, molecular docking and DFT investigation of Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) complexes of the 4-[(5-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazono]methyl}phenyl 4-methylbenzenesulfonate Schiff-base ligand
25. Synthesis, structural, DFT, antibacterial, antifungal, anti-inflammatory, and molecular docking analysis of new VO(II), Fe(III), Mn(II), Zn(II), and Ag(I) complexes based on 4-((2-hydroxy-1-naphthyl)azo) benzenesulfonamide
26. Fabrication, structural elucidation, theoretical, TD-DFT, vibrational calculation and molecular docking studies of some novel adenine imine chelates for biomedical applications
27. Synthesis, characterization, and DFT study of linear and non-linear optical properties of some novel thieno[2,3-b]thiophene azo dye derivatives
28. Seven metal-based bi-dentate NO azocoumarine complexes: Synthesis, physicochemical properties, DFT calculations, drug-likeness, in vitro antimicrobial screening and molecular docking analysis
29. Synthesis, Structural, Molecular Docking, DFT, Vibrational Spectroscopy, HOMO-LUMO, MEP Exploration, antibacterial and antifungal activity of new Fe(III), Co(II) and Ni(II) hetero-ligand complexes
30. Structural, spectroscopic, FMOs, and non-linear optical properties exploration of three thiacaix(4)arenes derivatives
31. Pyridine Derivatives as Insecticides: Part 6. Design, Synthesis, Molecular Docking, and Insecticidal Activity of 3‑(Substituted)methylthio-5,6,7,8-tetrahydroisoquinoline-4-carbonitriles Toward Aphis gossypii (Glover, 1887).
32. Ni(II) mixed-ligand chelates based on 2-hydroxy-1-naphthaldehyde as antimicrobial agents: Synthesis, characterization, and molecular modeling
33. Synthesis, characterization, molecular modeling and preliminary biochemical evaluation of new copper (II) mixed-ligand complexes
34. Two New Mononuclear Mn(II) and Cu(II) Mixed‐Ligand Complexes Incorporating 2,6‐Di(1H‐pyrazol‐1‐yl)pyridine and 2‐Hydroxy Naphthaldehyde‐Derived Schiff Base: Structural, Theoretical, and Phenoxazinone Synthase Mimicking Activity
35. Fabrication, Preparation, Physicochemical Characterization, and Theoretical Studies of Some Novel Schiff Base Ciprofloxacin Metal Complexes: DNA Interaction and Biomedical Applications.
36. Synthesis, structural, biological applications, DFT, molecular docking studies on Fe(III), Co(II), and Ni(II) complexes incorporating 2‐(pyridin‐2‐yl)phenol and 1H‐benzimidazole‐2‐carboxylic acid.
37. Design, synthesis, structural inspection, and DFT calculation of some novel imine ciprofloxacin metal chelates: A novel approach for pharmaceutical applications and DNA interaction.
38. Innovation of some novel complexes based on 1‐(4‐nitrophenyl)‐1H‐1,2,3‐triazol‐4‐yl)methanol ligand: Synthesis, structural elucidation DFT calculation and pharmaceutical studies.
39. Thiadiazole/Thiadiazine Derivatives as Insecticidal Agent: Design, Synthesis, and Biological Assessment of 1,3,4-(Thiadiazine/Thiadiazole)-Benzenesulfonamide Derivatives as IGRs Analogues against Spodoptera littoralis.
40. Synthesis, docking and biological evaluation of purine-5-N-isosteresas anti-inflammatory agents.
41. Preparation, Agricultural Bioactivity Evaluation, Structure–Activity Relationships Estimation, and Molecular Docking of Some Quinazoline Compounds.
42. NEW Fe(III), Co(II), Ni(II), Cu(II), AND Zn(II) MIXED-LIGAND COMPLEXES: STRACTURAL, DFT, BIOLOGICAL, AND MOLECULAR DOCKING STUDIES.
43. THREE Co(II), Ni(II) AND Cu(II) SCHIFF BASE COMPLEXES INCORPORATING 2-[(4-{[(4-METHYLPHENYL)SULFONOTHIOYL]OXY}PHENYL)METHYLENE] AMINO}BENZOIC ACID: SYNTHESIS, STRUCTURAL, DFT, BIOLOGICAL AND MOLECULAR DOCKING INVESTIGATION.
44. Designing, Characterization, DFT, Biological Effectiveness, and Molecular Docking Analysis of Novel Fe(III), Co(II), and Cu(II) Complexes Based on 4‑Hydroxy-2H-pyrano[3,2‑c]quinoline-2,5(6H)-dione.
45. Boiling, critical, and freezing temperatures in light of molecular descriptors: correlation and causation.
46. Innovation, structural inspection for new mixed complexes: DNA binding, biomedical applications and molecular docking approaches.
47. Antibacterial, antifungal, anti‐inflammatory evaluation, molecular docking, and density functional theory exploration of 2‐(1H‐benzimidazol‐2‐yl)guanidine mixed‐ligand complexes: Synthesis and characterization.
48. NEW IRON(III), COBALT(II), NICKEL(II), COPPER(II), ZINC(II) MIXED-LIGAND COMPLEXES: SYNTHESIS, STRUCTURAL, DFT, MOLECULAR DOCKING AND ANTIMICROBIAL ANALYSIS.
49. An operationally simple, one‐pot, convenient synthesis, and in vitro anti‐inflammatory activity of some new spirotriazolotriazine derivatives.
50. Efficiency and development of guanidine chelate catalysts for rapid and green synthesis of 7‐amino‐4,5‐dihydro‐tetrazolo[1,5‐a]pyrimidine‐6‐carbonitrile derivatives supported by density functional theory (DFT) studies
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