SavedAdd your journal

Journals / International Journal of Chemistry and Technology / 2018 / Volume: 2 Issue: 2

Theoretical approach using DFT and muscle relaxant effects of 5-Chloroisatin Derivatives

Zineb Tribak0000-0002-2169-9856
Alae Chda
Mohammed Khalid Skalli
Amal Haoudi
Youssef Kandri Rodi
Omar Senhaji
El Mokhtar Essassi
Rachid Ben Cheikh
Kaouakib El Abida
Pages
—
Publication Date
2018-12-28
🏛️Bibliographic metadata and full text access for this article are provided via DergiPark.
DergiPark Record ↗
✨

AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

The result of descriptors calculation revealed that the theoretical approach was in good agreement with the reported experimental data.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:A new series of 5-Chloroisatin derivatives were synthesied and characterises with different characterization methods such as 1 H-NMR and1 3 C-NMR spectroscopy, and then tested for their myorelaxant activity.
📊
Key Findings & Data:Computational investigations of the compounds 1a-3a , 2b and 4b on the muscle-relaxing effects performance were performed by using the DFT method with B3LYP functional .
💡
Conclusion & Impact:The result of descriptors calculation revealed that the theoretical approach was in good agreement with the reported experimental data.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:5-Chloroisatin derivatives · B3LYP functional and DFT method · synthesis

Abstract

A new series of 5-Chloroisatin derivatives were synthesied and characterises with different characterization methods such as 1 H-NMR and1 3 C-NMR spectroscopy, and then tested for their myorelaxant activity. Computational investigations of the compounds 1a-3a , 2b and 4b on the muscle-relaxing effects performance were performed by using the DFT method with B3LYP functional . The result of descriptors calculation revealed that the theoretical approach was in good agreement with the reported experimental data.

🔖

Cite This Article

Tribak, Z., Chda, A., Skalli, M. K., Haoudi, A., Rodi, Y. K., Senhaji, O., Essassi, E. M., Cheikh, R. B., Abida, K. E. (2018). Theoretical approach using DFT and muscle relaxant effects of 5-Chloroisatin Derivatives. International Journal of Chemistry and Technology, Volume: 2 Issue: 2. https://doi.org/10.32571/ijct.446539

📄 Full Text PDF Viewer

📄

PDF görüntüleyici hazırlanıyor...

References (42)

  1. Tribak, Z.; Skalli, M. K.; Haoudi, A.; Rodi, Y. K.; Senhaji, O.; Essassi, E. M. IMedPub Journals. 2018, 3, 1–4.
  2. Pandeya, S. N.; Sriram, D.; Nath, G.; De Clercq, E. Pharm. Acta Helv 1999, 74 (11).
  3. Sarangapani, M.; Reddy, V. M. Indian J. Pharm. Sci. 1996, 58 (4), 147.
  4. Popp, F. D.; Parson, R.; Donigan, B. E. J. Heterocycl. Chem. 1980, 17 (6), 1329–1330.
  5. Pandeya, S. N.; Smitha, S.; Jyoti, M.; Sridhar, S. K. Acta Pharm 2005, 55 (1), 27–46.
  6. Singh, G. S.; Singh, T.; Lakhan, R. ChemInform 1998, 29 (17).
  7. Bhattacharya, S. K.; Chakrabarti, A. Indian J. Exp. Biol. 1998, 36 (1), 118–121.
  8. Tribak, Z.; Kharbach, Y.; Haoudi, A.; Skalli, M. K.; Rodi, Y. K.; El Azzouzi, M.; Aouniti, A.; Hammouti, B.; Senhaji, O. J. Mater. Environ. Sci. 2016, 7 (6), 2006–2020.
  9. Tribak, Z.; Kandri Rodi, Y.; Elmsellem, H.; Abdel-Rahman, I.; Haoudi, A.; Skalli, M. K.; Kadmi, Y.; Hammouti, B.; Ali Shariati, M.; Essassi, E. M. J. Mater. Environ. Sci 2017, 8 (3), 1116–1127.
  10. Tribak, Z.; Haoudi, A.; Skalli, M. K.; Rodi, K. Y.; El Azzouzi, M.; Aouniti, A.; Hammouti, B.; Senhaji, O. J. Mater. Environ. Sci. 2017, 8 (1), 299–309.
  11. Obot, I. B.; Obi-Egbedi, N. O.; Umoren, S. A. Int. J. Electrochem. Sci 2009, 4 (6), 863–877.
  12. Zhang, S. G.; Lei, W.; Xia, M. Z.; Wang, F. Y. J. Mol. Struct. THEOCHEM 2005, 732 (1–3), 173–182.
  13. Irfan, A.; Al-Sehemi, A. G.; Asiri, A. M.; Nadeem, M.; Alamry, K. A. Comput. Theor. Chem. 2011, 977 (1–3), 9–12.
  14. Irfan, A.; Hina, N.; Al-Sehemi, A. G.; Asiri, A. M. J. Mol. Model. 2012, 18 (9), 4199–4207.
  15. Frisch, M.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, Ga. Inc., Wallingford, CT, 2009, 200.
  16. Chattaraj, P. K.; Roy, D. R. Chem. Rev. 2007, 107 (9), PR46-PR74.
  17. Wang, H.; Wang, X.; Wang, H.; Wang, L.; Liu, A. J. Mol. Model. 2007, 13 (1), 147–153.
  18. Siaka, A. A.; Edd, N. O.; Idris, S. O.; Magaji, L. Res. J. Appl. Sci. 2011, 6 (7–12), 487–493.
  19. Eddy, N. O.; Stoyanov, S. R.; Ebenso, E. E. Int. J. Electrochem. Sci 2010, 5, 1127–1150.
  20. Tribak, Z.; Haoudi, A.; Rodi, Y. K.; Elmsellem, H.; Skalli, M. K. Mor. J. Chem. 2016, 4, 1157–1163.
  21. Tribak, Z.; Skalli, M. K.; Senhaji, O.; Rodi, Y. K.; Haoudi, A.; Essassi, E. M. Am. Inter. J. Res. Formal. Appl. Nat. Sci. 2017.1, 41–50.
  22. Chda, A.; El Kabbaoui, M.; Chokri, A.; El Abida, K.; Tazi, A.; Cheikh, R. Ben. Eur. J. Med. Plants 2016, 11 (2), 1–13.
  23. Obi-Egbedi, N. O.; Obot, I. B.; El-Khaiary, M. I.; Umoren, S. A.; Ebenso, E. E. Int. J. Electrochem. Sci 2011, 6, 5649–5675.
  24. Özcan, M.; Solmaz, R.; Kardaş, G.; Dehri, I. Colloids Surfaces A Physicochem. Eng. Asp. 2008, 325 (1–2), 57–63.
  25. Kikuchi, O. Mol. Inform. 1987, 6 (4), 179–184.
  26. Khaled, K. F. Appl. Surf. Sci. 2010, 256 (22), 6753–6763.
  27. Tribak, Z.; Rodi, Y. K.; Haoudi, A.; Skalli, M. K.; Mazzah, A.; Ouzidan, Y.; Senhaji, O.; Essassi, E. M.; J. Mar. Chim. Heterocycl. 2017, 16, 110–118.
  28. Tribak, Z.; R. Ghibate.; Skalli, M. K.; Senhaji, O.;Rodi, Y. K. Inter. J. Sci. Tech. Eng. 2016, 3 (06), 257–262.
  29. Tribak, Z.; Skalli, M. K.; Senhaji, O.; Rodi, Y. K. Inter. J. Adv. Chem. 2017, 5 (2), 91–95.
  30. Tribak, Z.; Skalli, M. K.; Senhaji, O.; Rodi, Y. K. Inter. J. Adv. Chem. 2017, 4 (5), 2–7.
  31. Tribak, Z.; Skalli, M. K.; Senhaji, O.; Rodi, Y. K. Inter. J. Sci. Res. 2017, 6 (7), 1069–1074.
  32. Tribak, Z.; Kandri Rodi, Y.; Haoudi, A.; Essassi, E. M.; Capet, F.; Zouihri, H. IUCrData 2016, 1 (6), x160913.
  33. Tribak, Z.; Kandri Rodi, Y.; Haoudi, A.; Essassi, E. M.; Capet, F.; Zouihri, H. IUCrData 2016, 1 (6), x160854.
  34. Tribak, Z.; Kandri Rodi, Y.; Haoudi, A.; Essassi, E. M.; Capet, F.; Zouihri, H. IUCrData 2016, 1 (6), x160862.
  35. Tribak, Z.; Kandri Rodi, Y.; Haoudi, A.; Essassi, E. M.; Capet, F.; Zouihri, H. IUCrData 2016, 1 (6), x160971.
  36. Tribak, Z.; Skalli, M. K.; Senhaji, O.; Rodi, Y. K. Inter. J. Adv. Eng. Manag. Sci. 2017. 3(8) 837-841
  37. Tribak, Z.; Amin, O. El; Skalli, M. K.; Senhaji, O.; Rodi, Y. K.; Iraqui, M. H. Int. J. Eng. Res. Appl. 2017, 7 (6), 21–24.
  38. Tribak, Z.; Amin, O. El; Skalli, M. K.; Senhaji, O.; Rodi, Y. K.; Iraqui, M. H. Int. J. Eng. Res. Appl. 2017, 7 (6), 66–70.
  39. Sarangapani, M.; Reddy, V. M. Indian J. Pharm. Sci. 1996, 58 (4), 147.
  40. Obi-Egbedi, N. O.; Obot, I. B.; El-Khaiary, M. I.; Umoren, S. A.; Ebenso, E. E. Int. J. Electrochem. Sci 2011, 6, 5649–5675.
  41. Tribak, Z.; Kandri Rodi, Y.; Haoudi, A.; Essassi, E. M.; Capet, F.; Zouihri, H. IUCrData 2016, 1 (6), x160854.
  42. Tribak, Z.; Kandri Rodi, Y.; Haoudi, A.; Essassi, E. M.; Capet, F.; Zouihri, H. IUCrData 2016, 1 (6), x160971.