Evaluation of interaction of chlorogenic acid and cefotaxime sodium based on sequential analysis
10.16438/j.0513-4870.2021-1680
- VernacularTitle:基于序贯分析的绿原酸与头孢噻肟钠相互作用评价
- Author:
Shuang LIU
1
;
Zhen-zhen WANG
1
;
Yi-qing XIE
2
;
Jiang-lan LONG
1
;
Jiang-ling LI
3
;
Ai-ting WANG
1
;
Qiang MA
2
;
Dan YAN
1
Author Information
1. Beijing Friendship Hospital, Capital Medical University, Beijing 100050, China; Beijing Institute of Clinical Pharmacy, Beijing 100050, China
2. Chinese Academy of Inspection and Quarantine, Beijing 100176, China
3. Beijing Institute of Clinical Pharmacy, Beijing 100050, China; School of Pharmacy, Chengdu University of Traditional Chinese Medicine, Chengdu 611137, China
- Publication Type:Research Article
- Keywords:
chlorogenic acid;
cefotaxime sodium;
italic>Klebsiella pneumoniae;
molecular interaction;
chemical bonding
- From:
Acta Pharmaceutica Sinica
2022;57(5):1471-1476
- CountryChina
- Language:Chinese
-
Abstract:
The joint application of traditional Chinese medicine injection containing chlorogenic acid (CA) and cefotaxime sodium (CS) is sometimes appeared in clinical practice, but the scientific basis of drug molecular compatibility is still weak. This study proposes a sequential analysis strategy based on isothermal titration calorimetry (ITC), cold-spray ionization mass spectrometry (CSI-MS) and antibacterial activity test to evaluate the molecular interactions between CA and CS. The results of ITC experiments showed that the Gibbs free energy ΔG < 0 and it was driven by enthalpy change when CA titrated CS, suggesting CA could spontaneously chemically react with CS. Subsequently, the parent ions (m/z 808.143 5) of binding molecular of CA and CS was detected by CSI-MS, indicating CA could chemically bond with CS. Furtherly, the antibacterial experiments found the antibacterial ability of CS against Klebsiella pneumonia was significantly reduced (P < 0.01) by CA in mixed solution. Finally, molecular docking technology showed CA and CS have a common target of penicillin binding protein 3 (PBP3), suggesting that the phenomenon of CA reduced the antibacterial ability of CS may be related to the competitive binding of two components with PBP3. Our studies have shown that CA could spontaneously chemically bond to CS and reduced its antibacterial ability, providing scientific data for molecular interaction evaluation of CA and CS.
