1,327 results on '"Essassi, El Mokhtar"'
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2. Acute Toxicity Evaluation of a new Benzimidazole derivative on the wistar rat
3. Noncovalent interactions between quinoxalines and protoporphyrinogen oxidase (PPO): a computational case study for herbicidal applications
4. Synthesis, X-ray, spectroscopic characterizations, DFT calculations, Hirschfeld surface analyses, molecular docking, and molecular dynamic simulations of some 1,4-benzothiazine-1,1-dioxide derivatives as human kinase CK2 inhibitors
5. Molecular drug design, theoretical, experimental approaches and new framework of novel oxazol dihydroquinoxaline (ODQ): Efficient synthesis, crystallographic, computational investigation, DFT calculation, ADME analysis and antiangiogenic molecular docking
6. Experimental and theoretical investigations for novel 6-nitroquinoxaline-2,3‑dione derivatives: Synthesis, characterization, DFT calculations, ADME analysis, hirshfeld surface calculations, molecular docking studies, and antiproliferation evaluation
7. Schiff base compounds constructed from pyrazole–acetamide: Synthesis, spectroscopic characterization, crystal structure, DFT, molecular docking and antioxidant activity
8. Indapamide analogue a promising drug: Synthesis, a novel crystal structure, HSA/DFT/XRD, greener pastures biological study
9. Synthesis of new N-alkylated 6-bromoindoline-2.3-dione derivatives: Crystal structures, spectroscopic characterizations, Hirschfeld surface analyses, molecular docking studies, DFT calculations, and antibacterial activity
10. Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therapeutic Strategy against cancer
11. Design, synthesis, biological evaluation on immune cell proliferation, crystal structures, spectroscopic characterizations, DFT calculations, ADME analysis, and molecular docking studies with COX of novel tetrazole-Galactopyranosyl analogues
12. Synthesis, non-covalent interactions and chemical reactivity of 1-pentyl-3-phenylquinoxalin-2(1H)-one — Structural and computational studies
13. Synthesis of novel hybrid quinoxaline containing triazole and acetamide moieties by azide-alkyne click chemistry: Experimental and theoretical characterization
14. Synthesis, structural characterization, Hirshfeld surface analysis and anti-corrosion on mild steel in 1M HCl of ethyl 2-(3-methyl-2-oxo-1,2-dihydroquinoxaline-1-yl)acetate
15. Synthesis of New Pyrazolo[3,4- d ]pyrimidine Derivatives: NMR Spectroscopic Characterization, X-Ray, Hirshfeld Surface Analysis, DFT, Molecular Docking, and Antiproliferative Activity Investigations.
16. Synthesis, X-Ray, Spectral Characterization, DFT, and Molecular Docking Calculations of 2-(5-Nitro-1-H-Indazol-1-yl) Acetic Acid.
17. Synthesis, crystal structure and Hirshfeld surface analysis of 1-[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2(1H)-one.
18. New tetrazoles compounds incorporating galactose moiety: Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, molecular docking studies, DFT calculations and anti-corrosion property anticipation
19. Synthesis, spectroscopic characterization, crystal structure, DFT, ESI-MS studies, molecular docking and in vitro antibacterial activity of 1,5-benzodiazepin-2-one derivatives
20. Synthesis, spectroscopic characterization, DFT, molecular docking and in vitro antibacterial potential of novel quinoline derivatives
21. Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetate
22. New 1,2,3-triazole containing benzimidazolone derivatives: Syntheses, crystal structures, spectroscopic characterizations, Hirshfeld surface analyses, DFT calculations, anti-corrosion property anticipation, and antibacterial activities
23. Synthesis, Crystal structure, Hirshfeld surface Analysis and computational approach of new 2-methylbenzimidazo[1,2-a]pyrimidin-4(1H)-one
24. Novel antioxidant quinoxaline derivative: Synthesis, crystal structure, theoretical studies, antidiabetic activity and molecular docking study
25. Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach
26. Solid-state zwitterionic tautomerization of 2-((5-methyl-1H-pyrazol-3-yl)methyl)-1H-benzimidazole: Synthesis, characterization, DFT calculation and docking studies
27. A research on structural vibrational, surface characterization of 2-methyl-3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4H-pyrido[1,2-a]pyrimidin-4-one hydrate: SCXRD, FT-IR, MEP, Hirshfeld and molecular docking studies
28. Synthesis, structure elucidation, Hirshfeld surface analysis, DFT, molecular docking and Monte Carlo simulation of new quinoline-4-carboxylate derivatives
29. Syntheses, single crystal X-ray structure, Hirshfeld surface analyses, DFT computations and Monte Carlo simulations of New Eugenol derivatives bearing 1,2,3-triazole moiety
30. Synthesis, X-ray, spectroscopic characterization, Hirshfeld surface analysis, DFT calculation and molecular docking investigations of a novel 7-phenyl-2,3,4,5-tetrahydro-1H-1,4- diazepin-5-one derivative
31. Synthesis, crystal structure, DFT calculations, Hirshfeld surface analysis, energy frameworks, molecular dynamics and docking studies of novel isoxazolequinoxaline derivative (IZQ) as anti-cancer drug
32. New alkyl (cyclohexyl) 2-oxo-1-(prop‑2-yn-1-yl)-1, 2-dihydroquinoline-4-carboxylates: Synthesis, crystal structure, spectroscopic characterization, hirshfeld surface analysis, molecular docking studies and DFT calculations
33. Corrosion inhibition potential of 2-[(5-methylpyrazol-3-yl)methyl]benzimidazole against carbon steel corrosion in 1 M HCl solution: Combining experimental and theoretical studies
34. Synthesis, Crystal structure, Hirshfeld surface analysis, Spectral characterizations and Quantum computational assessments of 1-hydroxy-3-methyl-11H-pyrido[2,1-b] quinazolin-11-one
35. Syntheses, crystal structures, spectroscopic characterizations, DFT calculations, hirshfeld surface analyses and monte carlo simulations of novel long-chain alkyl-substituted 1,4-benzothiazine derivatives
36. Synthesis, crystal structure, hirshfeld surface analysis, DFT computations and molecular dynamics study of 2-(benzyloxy)-3-phenylquinoxaline
37. Synthesis, crystal structure and Hirshfeld surface analysis of 1-[3-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)propyl]-3-phenyl-1,2-dihydroquinoxalin-2-one.
38. Syntheses of novel 2-oxo-1,2-dihydroquinoline derivatives: Molecular and crystal structures, spectroscopic characterizations, Hirshfeld surface analyses, molecular docking studies and density functional theory calculations
39. Solvent induced supramolecular polymorphism in Cu(II) coordination complex built from 1,2,4-triazolo[1,5-a]pyrimidine: Crystal structures and anti-oxidant activity
40. Synthesis, spectroscopic characterization, crystal structure, DFT, molecular docking and in vitro antibacterial potential of novel quinoline derivatives
41. Synthesis, crystal structure, spectroscopic, thermal properties and DFT calculation of a novel ethyl 2-(2-(thiazol-4-yl)-1H-benzimidazol-1-yl)acetate
42. Newly synthesized triazolopyrimidine derivative as an inhibitor for mild steel corrosion in HCl medium: an experimental and in silico study
43. Spectral, DFT/B3LYP and molecular docking analyses on ethyl 2-(5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)pent-4-enoate
44. Synthesis, spectroscopic characterizations, DFT, molecular docking and molecular dynamics simulations of a novel 2-methyl-3H-benzimidazolo[1,2-b][1,2,4]triazepin-4(5H)-one
45. Syntheses of N-substituted benzimidazolone derivatives: DFT calculations, Hirshfeld surface analysis, molecular docking studies and antibacterial activities
46. X-ray Crystal Structure, Hirshfeld Surface Analysis, DFT, and Anticancer Effect of 3-Hydroxy-6-phenyl-1,5-benzodiazepin-2-one Derivatives
47. Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 5-Bromo-1-decyl-2,3-dihydro-1H- indolin-2-one
48. Synthesis, DFT Study and Antibacterial Activity of some Isoxazoline Derivatives Containing 1,4-benzothiazin-3-one Nucleus Obtained Using 1,3-dipolar Cycloaddition Reaction
49. Synthesis, anticancer evaluation in vitro, DFT, Hirshfeld surface analysis of some new 4-(1,3-benzothiazol-2-yl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one derivatives
50. Synthesis and crystal structure of 1-octyl-3-phenylquinoxalin-2(1H)-one, C22H26N2O
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