caa a22 4500 445878886 CHVBK 20180317145536.0 cr unu---uuuuu 170323e20111101xx s 000 0 eng 10.1007/s11030-011-9324-3 doi (NATIONALLICENCE)springer-10.1007/s11030-011-9324-3 Parallel synthesis of novel antitumor agents: 1,2,3-triazoles bearing biologically active sulfonamide moiety and their 3D-QSAR [Elektronische Daten] [Lili Ou, Shuang Han, Wenbo Ding, Ping Jia, Bo Yang, Jose Medina-Franco, Marc Giulianotti, Jian-Zhong Chen, Yongping Yu] 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 $${\left(r_{\rm cv}^{2 } = 0.64, r^{2} = 0.958\right)}$$ 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. Springer Science+Business Media B.V., 2011 1,2,3-Triazoles nationallicence Sulfonamide nationallicence Antitumor nationallicence 3D-QSAR nationallicence Azide-alkyne cycloaddition nationallicence Ou Lili College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut Han Shuang College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut Ding Wenbo College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut Jia Ping College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut Yang Bo College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut Medina-Franco Jose Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, 34987, Port St. Lucie, FL, USA aut Giulianotti Marc Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, 34987, Port St. Lucie, FL, USA aut Chen Jian-Zhong College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut Yu Yongping College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut Molecular Diversity Springer Netherlands 15/4(2011-11-01), 927-946 1381-1991 15:4<927 2011 15 11030 https://doi.org/10.1007/s11030-011-9324-3 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s11030-011-9324-3 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Ou Lili College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut NATIONALLICENCE 700 1- Han Shuang College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut NATIONALLICENCE 700 1- Ding Wenbo College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut NATIONALLICENCE 700 1- Jia Ping College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut NATIONALLICENCE 700 1- Yang Bo College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut NATIONALLICENCE 700 1- Medina-Franco Jose Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, 34987, Port St. Lucie, FL, USA aut NATIONALLICENCE 700 1- Giulianotti Marc Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, 34987, Port St. Lucie, FL, USA aut NATIONALLICENCE 700 1- Chen Jian-Zhong College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut NATIONALLICENCE 700 1- Yu Yongping College of Pharmaceutical Science, Zijin Campus, Zhejiang University, 310058, Hangzhou, People's Republic of China aut NATIONALLICENCE 773 0- Molecular Diversity Springer Netherlands 15/4(2011-11-01), 927-946 1381-1991 15:4<927 2011 15 11030 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer