Artículos de revistas
Sulfonyl-hydrazones of cyclic imides derivatives as potent inhibitors of the Mycobacterium tuberculosis protein tyrosine phosphatase B (PtpB)
Fecha
2011Registro en:
MEDCHEMCOMM, v.2, n.6, p.500-504, 2011
2040-2503
10.1039/c0md00253d
Autor
OLIVEIRA, Kely Navakoski de
CHIARADIA, Louise Domeneghini
MARTINS, Priscila Graziela Alves
MASCARELLO, Alessandra
CORDEIRO, Marlon Norberto Sechini
GUIDO, Rafael Victorio Carvalho
ANDRICOPULO, Adriano Defini
YUNES, Rosendo Augusto
NUNES, Ricardo Jose
VERNAL, Javier
TERENZI, Hernan
Institución
Resumen
Searching lead compounds for new antituberculosis drugs, the activity of synthetic sulfonamides and sulfonyl-hydrazones were assayed for their potential inhibitory activity towards a protein tyrosine phosphatase from Mycobacterium tuberculosis - PtpB. Four sulfonyl-hydrazones N-phenylmaleimide derivatives were active (compounds 14, 15, 19 and 21), and the inhibition of PtpB was found to be competitive with respect to the substrate p-nitrophenyl phosphate. Structure-based molecular docking simulations were performed and indicated that the new inhibitor candidates showed similar binding modes, filling the hydrophobic pocket of the protein by the establishment of van der Waals contacts, thereby contributing significantly to the complex stability.