Remember Me
Or use your Academic/Social account:


Or use your Academic/Social account:


You have just completed your registration at OpenAire.

Before you can login to the site, you will need to activate your account. An e-mail will be sent to you with the proper instructions.


Please note that this site is currently undergoing Beta testing.
Any new content you create is not guaranteed to be present to the final version of the site upon release.

Thank you for your patience,
OpenAire Dev Team.

Close This Message


Verify Password:
Verify E-mail:
*All Fields Are Required.
Please Verify You Are Human:
fbtwitterlinkedinvimeoflicker grey 14rssslideshare1
Castagnolo, Daniele; de Logu, Alessandro; Radi, Marco; Bechi, Beatrice; Manetti, Fabrizio; Magnani, Matteo; Supino, Sibilla; Meleddu, Rita; Chisu, Lorenza; Botta, Maurizio (2008)
Publisher: Elsevier
Languages: English
Types: Article
Subjects: F100
As a continuation of our previous work that turned toward the identification of antimycobacterial compounds with innovative structures, two series of pyrazole derivatives were synthesized by parallel solution-phase synthesis and were assayed as inhibitors of Mycobacterium tuberculosis (MTB), which is the causative agent of tuberculosis. One of these compounds showed high activity against MTB (MIC = 4 μg/mL). The newly synthesized pyrazoles were also computationally investigated to analyze their fit properties to the pharmacophoric model for antitubercular compounds previously built by us and to refine structure–activity relationship analysis.
  • The results below are discovered through our pilot algorithms. Let us know how we are doing!

    • 1. a) World Health Organization: The World Health Organization Global Tuberculosis Program, 2007. http://www.who.int/gtb/.http://www.who.int/tb/publications/global_report/2007/pdf/full b) Espinal, M. A. Tuberculosis 2003, 83, 44-51. c) Frieden, T. R.; Munsiff, S. S. Clin. Chest. Med. 2005, 26, 197-205. d) Burman, W. J. Clin. Chest. Med. 2005, 26, 283-294.
    • 2. World Health Organization, TB Home, 2007 http://www.who.int/tb/en/.
    • 3. a) Janin, Y. L. Bioorg. Med. Chem. 2007, 15, 2479-2513. b) O'Brien, R. J.; Nunn, P. P. Am. J. Respir. Crit. Care Med. 2001, 1635, 1055-1058. c) Ahmad, Z.; Pandey, R.; Sharma, S.; Khuller, G.K. Int. J. Antimicrob. Agents 2008, 31, 142-146.
    • 4. Manetti, F.; Magnani, M.; Castagnolo, D.; Passalacqua, L.; Botta, M.; Corelli, F.; Saddi, M.; Deidda, D.; De Logu, A. ChemMedChem 2006, 1, 973-989.
    • 5. Kutterer, K. M.; Davis, J. M.; Singh, G.; Yang, Y.; Hu, W.; Severin, A.; Rasmussen, B. A.; Krishnamurthy, G.; Failli, A.; Katz, A. H. Bioorg. Med. Chem. Lett. 2005, 15, 2527-2531.
    • 6. Pyrazolones 7a-k can exist in three tautomeric forms as indicated in Scheme 1. 1H NMR analysis revealed the presence of a single signal set due to the quick chemical exchange between the three tautomeric forms.
    • 7. Jensen, B. S. Acta Chem. Scand. 1959, 13, 1668-1670.
    • 8. Holzer, W.; Kautsch, C.; Laggner, C.; Claramunt, R. M.; Pérez-Torralba, M.; Alkorta, I.; Elguero, J. Tetrahedron 2004, 60, 6791-6805.
    • 9. a) Holzer, W.; Hahn, K.; Brehmer, T.; Claramunt, R. M.; Pérez-Torralba, M. Eur. J. Org. Chem. 2003, 7, 1209-1219. b) S. Bieringer, W. Holzer, Heterocycles 2006, 68, 1825-1836.
    • 10. NOE interactions between benzyl protons and methyl at C3 was revealed, whereas no NOE interactions between benzyl and p-chlorophenyl protons were observed.
    • 11. Catalyst, version 4.10, Accelrys Inc., San Diego, CA. http://www.accelrys.com.
  • No related research data.
  • No similar publications.

Share - Bookmark

Cite this article