Parallel synthesis of novel antitumor agents: 1, 2, 3-triazoles bearing biologically active sulfonamide moiety and their 3D-QSAR Article

Ou, L, Han, S, Ding, W et al. (2011). Parallel synthesis of novel antitumor agents: 1, 2, 3-triazoles bearing biologically active sulfonamide moiety and their 3D-QSAR . Molecular Diversity, 15(4), 927-946. 10.1007/s11030-011-9324-3

cited authors

  • Ou, L; Han, S; Ding, W; Jia, P; Yang, B; Medina-Franco, JL; Giulianotti, MA; Chen, JZ; Yu, Y

abstract

  • A 60-member 1, 2, 3-triazoles bearing biologically active sulfonamide moiety library was synthesized via azide-alkyne cycloaddition and examined for cytotoxic activity against human leukemia cell line HL-60. 25 of them were evaluated further in four additional cancer cell lines (HepG2, A549, PC3, SGC7901).Most of the 25 compounds showed moderate cytotoxic activities against the tested cell lines. Furthermore, the structure-activity relationships were discussed and a reliable 3D-QSAR model with good prediction (r 2 cv= 0.64, r 2= 0.958) was generated on the basis of our synthesized 1, 2, 3-triazoles for their cytotoxic activities against the HL-60 cell line. The contour map of the CoMFA should aid in the design of new antitumor agents. © 2011 Springer Science+Business Media B.V.

authors

publication date

  • November 1, 2011

published in

Digital Object Identifier (DOI)

start page

  • 927

end page

  • 946

volume

  • 15

issue

  • 4