摘要
结合α1 受体拮抗剂的构效关系和我们应用计算机辅助药物设计方法所构建的药效团模型 ,设计合成了 17个 1 ( 5 甲基 2 苯并唑甲基 ) 4 ( 2 取代芳氧乙基 )哌嗪类化合物 ,其结构均经1HNMR ,IR及MS (HRMS)确证 .初步生物活性测试表明 ,所合成的目标化合物多数具有较好的α1 受体拮抗活性 .3D QSAR研究为该类化合物的结构改造提供了理论依据 .
Seventeen 2-[N′-(2-aryloxyethyl)piperazinomethyl]-benzoxazole derivatives have been designed and synthesized based on the structure and activity relationship (SAR) of α 1-adrenoceptor (α 1-AR) antagonists and the results of computer-aided drug design (CADD) we studied before. All the target compounds have been identified by 1H NMR, IR and MS (HRMS). Preliminary bioassay suggests that most of the target compounds display good blocking activity to α 1-AR. The 3D-QSAR study is valuable for designing and optimizing new active structures of this kind of compounds.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
2004年第15期1430-1436,FJ03,共8页
Acta Chimica Sinica
基金
国家科委 863计划 (No .2 0 0 2AA2Z31 1 8)资助项目
