Parallel synthesis of novel antitumor agents: 1,2,3-triazoles bearing biologically active sulfonamide moiety and their 3D-QSAR
College of Pharmaceutical Science, Zijin Campus, Zhejiang University, Hangzhou 310058, People's Republic of China. Molecular Diversity
(Impact Factor: 1.9).
07/2011; 15(4):927-46. DOI: 10.1007/s11030-011-9324-3
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 (r²cv = 0.64, r² = 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.
Data provided are for informational purposes only. Although carefully collected, accuracy cannot be guaranteed. The impact factor represents a rough estimation of the journal's impact factor and does not reflect the actual current impact factor. Publisher conditions are provided by RoMEO. Differing provisions from the publisher's actual policy or licence agreement may be applicable.