title: Identification of a new isomer from a reversible isomerization of ceftriaxone in aqueous solution.
abstract: A reversible isomerization of ceftriaxone in aqueous solution was observed, and the structure of the isomer was determined by mass spectrometry and various 1D and 2D NMR techniques. The mechanism of isomerization was also discussed. Finally, molecular docking simulations were performed and the antimicrobial activities of the isomers were measured. This showed that the biological activity of ceftriaxone was stronger than that of its isomer. The results reported in this article may be important to quality control requirements and to the stability of ceftriaxone products.
authors.affiliation: National Institute for Food and Drug Control, Beijing 100050, Chongwen District, People's Republic of China.
authors.forename: Ye
authors.initials: Y
authors.lastname: Tian
authors.affiliation: National Institute for Food and Drug Control, Beijing 100050, Chongwen District, People's Republic of China.
authors.forename: Li
authors.initials: L
authors.lastname: Lu
authors.affiliation: National Institute for Food and Drug Control, Beijing 100050, Chongwen District, People's Republic of China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Chang
authors.affiliation: National Institute for Food and Drug Control, Beijing 100050, Chongwen District, People's Republic of China.
authors.forename: Dou-sheng
authors.initials: DS
authors.lastname: Zhang
authors.affiliation: National Institute for Food and Drug Control, Beijing 100050, Chongwen District, People's Republic of China.
authors.forename: Jin
authors.initials: J
authors.lastname: Li
authors.affiliation: National Institute for Food and Drug Control, Beijing 100050, Chongwen District, People's Republic of China.
authors.forename: Yan-Chun
authors.initials: YC
authors.lastname: Feng
authors.affiliation: National Institute for Food and Drug Control, Beijing 100050, Chongwen District, People's Republic of China. Electronic address: hucq@nicpbp.org.cn.
authors.forename: Chang-Qin
authors.initials: CQ
authors.lastname: Hu
mesh_terms: D000900:Anti-Bacterial Agents / Q000032:analysis / Q000737:chemistry*; D002443:Ceftriaxone / Q000032:analysis / Q000737:chemistry*; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D007536:Isomerism; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D019999:Pharmaceutical Solutions / Q000032:analysis / Q000737:chemistry*; D013237:Stereoisomerism; D014867:Water / Q000032:analysis / Q000737:chemistry*
chemical_list: D000900:Anti-Bacterial Agents; D019999:Pharmaceutical Solutions; D014867:Water; D002443:Ceftriaxone
keywords: Antibiotic; Biological activity; Ceftriaxone; Isomerization; Related substances