All Stories

  1. Synthesis, virtual screening, and computational approach of 6-(4-metoxyphenyl)-4-phenyl-1,2-dihydropyrimidin-2-one as a potential target for thioredoxin glutathione reductase (TGR)

    Article • Journal of Molecular Structure, August 2023, Elsevier

    Youness El Bakri

  2. Insight into crystal structures and identification of potential styrylthieno[2,3-b]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided modeling and simulation approach

    Article • Journal of Biomolecular Structure and Dynamics, June 2023, Taylor & Francis

    Youness El Bakri

  3. A Probe to Surface Reactivity, Crystal Structure, and DFT Investigations for Newly Synthesized 4,5-bis(4-Nitrophenyl)-8a-phenyl-decahydro-[1,3]diazino[4,5-d]pyrimidine-2,7-dione: A Combined Theoretical and Experimental Study

    Article • Crystals, June 2023, MDPI AG

    Youness El Bakri

  4. Uridine Derivatives: Synthesis, Biological Evaluation, and In Silico Studies as Antimicrobial and Anticancer Agents

    Article • Medicina, June 2023, MDPI AG

    Youness El Bakri

  5. A computational investigation of galactopyranoside esters as antimicrobial agents through antiviral, molecular docking, molecular dynamics, pharmacokinetics, and bioactivity prediction

    Article • Journal of Biomolecular Structure and Dynamics, April 2023, Taylor & Francis

    Youness El Bakri , Morteza Saki

  6. Synthesis, X-ray crystal structure, Hirshfeld surface analysis and computational investigation into the potential inhibitory action of novel 6-(p-tolyl)-2-((p-tolyl)thio)methyl-7H-[1.2.4]triazolo[5,1-b][1,3,4]thiadiazine inh...

    Article • Journal of Biomolecular Structure and Dynamics, February 2023, Taylor & Francis

    Youness El Bakri

  7. Efficient Antibacterial/Antifungal Activities: Synthesis, Molecular Docking, Molecular Dynamics, Pharmacokinetic, and Binding Free Energy of Galactopyranoside Derivatives

    Article • Molecules, December 2022, MDPI AG

    Youness El Bakri

  8. Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of pharmacophore sites

    Article • PLoS ONE, November 2022, PLOS

    Youness El Bakri

  9. Synthesis, crystal structure, and a molecular modeling approach to identify effective antiviral hydrazide derivative against the main protease of SARS-CoV-2

    Article • Journal of Molecular Structure, October 2022, Elsevier

    Youness El Bakri

  10. Insight into the Crystal Structures and Potential of Two Newly Synthesized Naproxen-Based Hydrazide Derivatives as Potent COX-2 Inhibitors

    Article • Applied Biochemistry and Biotechnology, July 2022, Springer Science + Business Media

    Youness El Bakri

  11. In silico approach for potential antimicrobial agents through antiviral, molecular docking, molecular dynamics, pharmacokinetic and bioactivity predictions of galactopyranoside derivatives

    Article • Arab Journal of Basic and Applied Sciences, May 2022, Taylor & Francis

    Youness El Bakri

  12. Synthesis, crystal structure investigation and computational approach to discover potential hydrazide derivatives as a potent inhibitor of cyclooxygenase‐2 enzyme

    Article • Journal of Biochemical and Molecular Toxicology, April 2022, Wiley

    Mustafa R.Al-Hadeethi, Youness El Bakri

  13. Molecular docking study and molecular dynamics simulation of ethyl 3,5‐diphenyl‐1 H ‐pyrrole‐2‐carboxylate and (Z)‐ethyl‐2‐(3‐oxo‐1,3‐diphenylprop‐1‐enylamino)acetate

    Article • Journal of Biochemical and Molecular Toxicology, February 2022, Wiley

    Youness El Bakri

  14. Novel 3-chloro-6-nitro-1H-indazole derivatives as promising antileishmanial candidates: synthesis, biological activity, and molecular modelling studies

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, December 2021, Taylor & Francis

    Youness El Bakri

  15. An overview on novel synthetic approaches and medicinal applications of benzimidazole compounds

    Article • Arabian Journal of Chemistry, November 2021, Elsevier

    Youness El Bakri

  16. Synthesis, Crystal structure, Hirshfeld surface Analysis and computational approach of new 2-methylbenzimidazo[1,2-a]pyrimidin-4(1H)-one

    Article • Journal of Molecular Structure, September 2021, Elsevier

    Youness El Bakri

  17. Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach

    Article • Applied Biochemistry and Biotechnology, July 2021, Springer Science + Business Media

    Youness El Bakri

  18. 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

    Article • Journal of Molecular Structure, June 2021, Elsevier

    Youness El Bakri

  19. 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

    Article • Journal of Molecular Structure, February 2020, Elsevier

    Youness El Bakri

  20. A triazolopyrimidine derivative as corrosion inhibitor for mild steel in HCl solution

    Article • January 2020, American Institute of Physics

    Youness El Bakri

  21. 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

    Article • Journal of Molecular Structure, December 2019, Elsevier

    Youness El Bakri

  22. Crystal structure, computational study and Hirshfeld surface analysis of ethyl (2S,3R)-3-(3-amino-1H-1,2,4-triazol-1-yl)-2-hydroxy-3-phenylpropanoate

    Article • Acta Crystallographica Section E Crystallographic Communications, November 2019, International Union of Crystallography

    Youness El Bakri , jihad sebhaoui

  23. Synthesis, biological activity and molecular modeling of a new series of condensed 1,2,4-triazoles

    Article • Bioorganic Chemistry, November 2019, Elsevier

    Youness El Bakri

  24. A newly synthesized 6-methyl-7H,8H,9H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8-one for potential inhibitor of adenosine A1 receptor: a combined experimental and computational studies

    Article • Journal of Biomolecular Structure and Dynamics, September 2019, Taylor & Francis

    Youness El Bakri , jihad sebhaoui

  25. Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 5-Bromo-1-decyl-2,3-dihydro-1H- indolin-2-one

    Article • Journal of Chemical Crystallography, August 2019, Springer Science + Business Media

    Youness El Bakri

  26. Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-dihydro-1H-indole-2,3-dione

    Article • Acta Crystallographica Section E Crystallographic Communications, July 2019, International Union of Crystallography

    Youness El Bakri , jihad sebhaoui

  27. Synthesis, spectroscopic characterization, thermal, XRD crystal structure, the PLATON structural analysis, and theoretical studies of a new 1,2,4-triazolo-[1,5-a]pyrimidines derivatives

    Article • Journal of Molecular Structure, May 2019, Elsevier

    Youness El Bakri , jihad sebhaoui

  28. Synthesis, NMR characterization, DFT and anti-corrosion on carbon steel in 1M HCl of two novel 1,5-benzodiazepines

    Article • Journal of Molecular Structure, April 2019, Elsevier

    Youness El Bakri , jihad sebhaoui

  29. Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 2-(1-decyl-2-oxoindolin-3-ylidene)propanedinitrile

    Article • Acta Crystallographica Section E Crystallographic Communications, January 2019, International Union of Crystallography

    Youness El Bakri

  30. Electrochemical, DFT and MD simulation of newly synthesized triazolotriazepine derivatives as corrosion inhibitors for carbon steel in 1 M HCl

    Article • Journal of Molecular Liquids, January 2019, Elsevier

    Youness El Bakri

  31. Multidimensional insights involving electrochemical andin silicoinvestigation into the corrosion inhibition of newly synthesized pyrazolotriazole derivatives on carbon steel in a HCl solution

    Article • RSC Advances, January 2019, Royal Society of Chemistry

    Youness El Bakri

  32. Synthesis, crystal structure, DFT, molecular dynamics simulation and evaluation of the anticorrosion performance of a new pyrazolotriazole derivative

    Article • Journal of Molecular Structure, January 2019, Elsevier

    Youness El Bakri

  33. Synthesis, crystal structure, Hirshfeld surface analysis, and DFT calculations of new 1-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-6-methoxy-1H-benzimidazol-2(3H)-one

    Article • Chemical Data Collections, December 2018, Elsevier

    Youness El Bakri , jihad sebhaoui

  34. Crystal structure, DFT calculations and Hirshfeld surface analysis of 3-(4-methylphenyl)-6-nitro-1H-indazole

    Article • Acta Crystallographica Section E Crystallographic Communications, November 2018, International Union of Crystallography

    Youness El Bakri

  35. Potential antidiabetic activity and molecular docking studies of novel synthesized 3.6-dimethyl-5-oxo-pyrido[3,4-f][1,2,4]triazepino[2,3-a]benzimidazole and 10-amino-2-methyl-4-oxo pyrimido[1,2-a]benzimidazole derivatives

    Article • Journal of Molecular Modeling, June 2018, Springer Science + Business Media

    Youness El Bakri

  36. Ethyl 3-methyl-1-oxo-4H-1,4-benzothiazine-2-carboxylate monohydrate

    Article • IUCrData, June 2018, International Union of Crystallography

    Youness El Bakri

  37. Ethyl 2-[(2E)-4-decyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate

    Article • IUCrData, May 2018, International Union of Crystallography

    Youness El Bakri

  38. 1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one

    Article • IUCrData, April 2018, International Union of Crystallography

    Youness El Bakri , jihad sebhaoui

  39. Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetate

    Article • IUCrData, April 2018, International Union of Crystallography

    Youness El Bakri , jihad sebhaoui

  40. (3R,4Z)-1,3-Diethyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

    Article • IUCrData, April 2018, International Union of Crystallography

    Youness El Bakri , jihad sebhaoui

  41. Ethyl 2-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)acetate

    Article • IUCrData, April 2018, International Union of Crystallography

    Youness El Bakri , jihad sebhaoui

  42. 1-Benzyl-3-methylquinoxalin-2(1H)-one

    Article • IUCrData, March 2018, International Union of Crystallography

    Youness El Bakri

  43. A monoclinic modification of (4Z)-1-benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

    Article • IUCrData, February 2018, International Union of Crystallography

    Youness El Bakri

  44. 2-Benzyl-6-nitro-2H-indazole

    Article • IUCrData, January 2018, International Union of Crystallography

    Youness El Bakri, Youness El Bakri

  45. 3-Bromo-6-nitro-1-(prop-2-en-1-yl)-1H-indazole

    Article • IUCrData, January 2018, International Union of Crystallography

    Youness El Bakri, Youness El Bakri

  46. Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, and DFT calculations of 1,4-dimethyl-2-oxo-pyrimido[1,2- a ]benzimidazole hydrate

    Article • Journal of Molecular Structure, January 2018, Elsevier

    Youness El Bakri, Youness El Bakri

  47. (4Z)-4-(2-Oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

    Article • IUCrData, July 2017, International Union of Crystallography

    Youness El Bakri, Youness El Bakri , jihad sebhaoui

  48. 1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione

    Article • IUCrData, July 2017, International Union of Crystallography

    Youness El Bakri, Youness El Bakri , jihad sebhaoui

  49. 1-(6-Nitro-1H-indazol-1-yl)ethanone

    Article • IUCrData, June 2017, International Union of Crystallography

    Youness El Bakri, Youness El Bakri

  50. 1-(Prop-2-en-1-yl)-3-[(prop-2-en-1-yl)oxy]quinoxalin-2(1H)-one

    Article • IUCrData, May 2017, International Union of Crystallography

    jihad sebhaoui, Youness El Bakri, Youness El Bakri

  51. (E)-N-[(Anthracen-9-yl)methylidene]hydroxylamine

    Article • IUCrData, May 2017, International Union of Crystallography

    jihad sebhaoui, Youness El Bakri, Youness El Bakri

  52. 2-(1-Hexyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene)propanedinitrile

    Article • IUCrData, May 2017, International Union of Crystallography

    jihad sebhaoui, Youness El Bakri, Youness El Bakri

  53. 1-Chloro-3-(6-nitro-1H-indazol-1-yl)propan-2-ol

    Article • IUCrData, May 2017, International Union of Crystallography

    Youness El Bakri

  54. 3-Chloro-2-ethyl-6-nitro-2H-indazole

    Article • IUCrData, May 2017, International Union of Crystallography

    Youness El Bakri

  55. 1,4-Di-n-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione

    Article • IUCrData, April 2017, International Union of Crystallography

    Youness El Bakri, jihad sebhaoui, Youness El Bakri

  56. (4Z)-4-(2-Oxopropylidene)-1,3-bis(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

    Article • IUCrData, April 2017, International Union of Crystallography

    Youness El Bakri, jihad sebhaoui, Youness El Bakri

  57. 1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione

    Article • IUCrData, March 2017, International Union of Crystallography

    Youness El Bakri, jihad sebhaoui, Youness El Bakri

  58. Ethyl 2-(6-nitro-1H-indazol-1-yl)acetate

    Article • IUCrData, March 2017, International Union of Crystallography

    Youness El Bakri, Youness El Bakri

  59. (E)-4-Methoxy-3,5-dimethyl-2-[(3-nitrophenyl)ethenyl]pyridine

    Article • IUCrData, December 2016, International Union of Crystallography

    Youness El Bakri, jihad sebhaoui, Youness El Bakri

  60. 9-Ethyl-6-methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-one

    Article • IUCrData, December 2016, International Union of Crystallography

    Youness El Bakri, Youness El Bakri

  61. 1-Benzyl-3-hydroxy-4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

    Article • IUCrData, November 2016, International Union of Crystallography

    Youness El Bakri, Youness El Bakri

  62. 4-Amino-5-tetradecylamino-4H-1,2,4-triazol-1-ium chloride

    Article • IUCrData, November 2016, International Union of Crystallography

    Youness El Bakri, jihad sebhaoui, Youness El Bakri

  63. (4Z)-1-Dodecyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

    Article • IUCrData, November 2016, International Union of Crystallography

    Youness El Bakri, jihad sebhaoui, Youness El Bakri

  64. 7,9-Didodecyl-6-methyl-3H,7H,8H,9H,9aH-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8-one

    Article • IUCrData, October 2016, International Union of Crystallography

    Youness El Bakri, jihad sebhaoui, Youness El Bakri

  65. (7R)-6-Methyl-7,9-bis(prop-2-yn-1-yl)-7H,8H,9H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8-one

    Article • IUCrData, August 2016, International Union of Crystallography

    Youness El Bakri, jihad sebhaoui, Youness El Bakri

  66. 6-Methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-thione

    Article • IUCrData, August 2016, International Union of Crystallography

    Youness El Bakri, Youness El Bakri

  67. (3S,4S)-4-Phenyl-1,5-bis(prop-2-en-1-yl)-3-(prop-2-en-1-yloxy)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

    Article • IUCrData, July 2016, International Union of Crystallography

    Youness El Bakri, Youness El Bakri