摘要
在水热条件下以吡啶⁃2,6⁃二羧酸和哌嗪作为配体合成了一种新的镨(Ⅲ)配合物:(H_(2)pipz)_(1.5)[Pr(pdc)_(3)]·7H_(2)O(1,pdc^(2-)=吡啶⁃2,6⁃二羧酸根;pipz=哌嗪),并借助红外光谱、元素分析和X射线单晶衍射对其进行了结构表征,进而采用密度泛函理论(DFT)方法探究了配合物1的基本结构单元的电子结构。此外,抗肿瘤实验表明配合物1对K562(IC_(50)=(61.3±10.20)μg·mL^(-1))和OE⁃19细胞(IC_(50)=(15.9±3.24)μg·mL^(-1))均表现出较强的细胞毒性,尤其是对OE⁃19细胞具有更强的抑制效果。
A novel Pr(Ⅲ)⁃based co⁃crystal complex,(H_(2)pipz)_(1.5)[Pr(pdc)_(3)]·7H_(2)O(1,pdc^(2-)=pyridine⁃2,6⁃dicarboxylate and pipz=piperazine)has been synthesized under hydrothermal condition.Infrared(IR)spectroscopy,elemental analysis,and X⁃ray single⁃crystal diffraction were carried out to determine the composition and crystal structure of complex 1.To deeply reveal the electronic structure of complex 1,density functional theory(DFT)calculations were employed to investigate the electrostatic potential(ESP)and frontier molecular orbitals(FMO)of the structural unit[Pr(pdc)3]3-.More importantly,the antitumor test showed that complex 1 exhibited good cytotoxic activity against K562(IC_(50)=(61.3±10.2)μg·mL^(-1))and OE⁃19 cells(IC_(50)=(15.9±3.2)μg·mL^(-1)),especially more effective against OE⁃19 cells.CCDC:1834053.
作者
张莉
郭林峰
黄胜
康杰
孙伟明
ZHANG Li;GUO Lin-Feng;HUANG Sheng;KANG Jie;SUN Wei-Ming(Fujian Key Laboratory of Drug Target Discovery and Structural and Functional Research,School of Pharmacy,Fujian Medical University,Fuzhou 350108,China)
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
2021年第7期1269-1276,共8页
Chinese Journal of Inorganic Chemistry
基金
福建省科技创新联合基金(No.2017Y9119)
福建医科大学教授基金(No.JS14008)
福建省高校杰出青年科研人才培育计划(No.2018B032)资助。
关键词
镨(Ⅲ)配合物
晶体结构
抗肿瘤活性
理论计算
praseodymium(Ⅲ) complex
crystal structure
antitumor activity
theoretical calculation