Citation: Li ZHANG, Chang JIANG, Lin-Feng GUO, Xiao-Ling ZHANG, Xiong-Qiang LIN, Jie KANG, Wei-Ming SUN. Synthesis, Characterization, Antitumor Activity, and Theoretical Calculations of Co(Ⅱ) Complex Based on Pyridine-2, 6-dicarboxylic Acid[J]. Chinese Journal of Inorganic Chemistry, ;2021, 37(2): 368-374. doi: 10.11862/CJIC.2021.027 shu

Synthesis, Characterization, Antitumor Activity, and Theoretical Calculations of Co(Ⅱ) Complex Based on Pyridine-2, 6-dicarboxylic Acid

Li ZHANG ^{1, #} ,
Chang JIANG ^{2, #} ,
Lin-Feng GUO ¹ ,
Xiao-Ling ZHANG ¹ ,
Xiong-Qiang LIN ¹ ,
Jie KANG ^1,, ,
Wei-Ming SUN ^1,,

1.
School of Pharmacy, Fujian Key Laboratory of Drug Target Discovery and Structural and Functional Research, Fujian Medical University, Fuzhou 350108, China
2.
Fujian Academy of Chinese Medical Sciences, Fuzhou 350003, China

Corresponding author: Jie KANG, davidkj660825@163.com Wei-Ming SUN, sunwm@fjmu.edu.cn

Received Date: 7 July 2020
Revised Date: 28 October 2020

Figures(4)

A new cobalt complex, namely[Co(Hpdc)(bpy)Cl]·C₂H₅OH (bpy=2, 2'-bipyridine), was synthesized by using pyridine-2, 6-dicarboxylic acid (H₂pdc) as ligand under hydrothermal condition, and followed by experimental characterization of infrared spectroscopy and X-ray single-crystal diffraction. To deeply reveal the electronic structure of this complex, density functional theory calculations were employed to investigate its charge distribution, electrostatic potential, frontier molecular orbitals, and relevant electronic properties under aqueous condition. Moreover, the antitumor activity of this complex was evaluated by thiazolyl blue tetrazolium bromide (MTT) assay in chronic myelocytic leukemia (K562) and esophageal carcinoma (OE-19) cancer cell lines, and the resulting IC₅₀ values were estimated to be as low as (0.22±0.05) μg·mL^-1 and (0.82±0.16) μg·mL^-1 (i. e., (0.48±0.11) μmol·L^-1 and (1.77±0.35) μmol·L^-1) for K562 and OE-19, respectively, demonstrating its cytotoxic activity against these two cancer cell lines. CCDC: 1994088.
- cobalt(Ⅱ) complex,
- crystal structure,
- antitumor activity,
- DFT calculation
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