title: Parallel synthesis of novel antitumor agents: 1,2,3-triazoles bearing biologically active sulfonamide moiety and their 3D-QSAR.
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 (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.
authors: College of Pharmaceutical Science, Zijin Campus, Zhejiang University, Hangzhou 310058, People's Republic of China.
authors: Lili
authors: L
authors: Ou
authors: Shuang
authors: S
authors: Han
authors: Wenbo
authors: W
authors: Ding
authors: Ping
authors: P
authors: Jia
authors: Bo
authors: B
authors: Yang
authors: Jose L
authors: JL
authors: Medina-Franco
authors: Marc A
authors: MA
authors: Giulianotti
authors: Jian-Zhong
authors: JZ
authors: Chen
authors: Yongping
authors: Y
authors: Yu
mesh_terms: D000480:Alkynes / Q000737:chemistry; D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D001386:Azides / Q000737:chemistry; D045744:Cell Line, Tumor; D060326:Chemistry Techniques, Synthetic / Q000379:methods*; D006801:Humans; D020128:Inhibitory Concentration 50; D008958:Models, Molecular; D008968:Molecular Conformation; D021281:Quantitative Structure-Activity Relationship; D013449:Sulfonamides / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D014230:Triazoles / Q000737:chemistry*
chemical_list: D000480:Alkynes; D000970:Antineoplastic Agents; D001386:Azides; D013449:Sulfonamides; D014230:Triazoles