Design, synthesis, biological evaluation and molecular modeling studies of 1-aryl-6-(3,4,5-trimethoxyphenyl)-3(Z)-hexen-1,5-diynes as a new class of potent antitumor agents

► We synthesized a new series of enediyne containing antitumor agents. ► These molecules show good growth inhibition activity against human tumor cell lines. ► These molecules block the cell cycle at G2/M phase. ► These molecules decreased tumor size in xenographic study.