title: Broad-Specificity Chemiluminescence Enzyme Immunoassay for (Fluoro)quinolones: Hapten Design and Molecular Modeling Study of Antibody Recognition.
abstract: On the basis of the structural features of (fluoro)quinolones (FQs), pazufloxacin was first used as a generic immunizing hapten to raise a broad-specificity antibody. The obtained polyclonal antibody exhibited broad cross-reactivity ranging from 5.19% to 478.77% with 21 FQs. Furthermore, the antibody was able to recognize these FQs below their maximum residue limits (MRLs) in an indirect competitive chemiluminescence enzyme immunoassay (ic-CLEIA), with the limit of detection (LOD) ranging from 0.10 to 33.83 ng/mL. For simply pretreated milk samples with spiked FQs, the ic-CLEIA exhibited an excellent recovery with a range of 84.6-106.9% and an acceptable coefficient of variation below 15%, suggesting its suitability and reliability for the use of a promising tool to detect FQs. Meanwhile, comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) models, with statistically significant correlation coefficients (q(2)CoMFA = 0.559, r(2)CoMFA = 0.999; q(2)CoMSIA = 0.559, r(2)CoMSIA = 0.994), were established to investigate the antibody recognition mechanism. These two models revealed that in the antibody, the active cavity binding FQs' 7-position substituents worked together with another cavity (binding FQs' 1-position groups) to crucially endow the high cross-reactivity. This investigation will be significant for better exploring the recognition mechanism and for designing new haptens.
authors.affiliation: Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China.
authors.forename: Haopeng
authors.initials: H
authors.lastname: Zeng
authors.affiliation: Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China.
authors.forename: Jiahong
authors.initials: J
authors.lastname: Chen
authors.affiliation: Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China.
authors.forename: Chijian
authors.initials: C
authors.lastname: Zhang
authors.affiliation: Tropical Medicine Institute & South China Chinese Medicine Collaborative Innovation Center, Guangzhou University of Chinese Medicine , Guangzhou, 510405, P. R. China.
authors.forename: Xin-An
authors.initials: XA
authors.lastname: Huang
authors.affiliation: Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China.
authors.forename: Yuanming
authors.initials: Y
authors.lastname: Sun
authors.affiliation: Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China.
authors.forename: Zhenlin
authors.initials: Z
authors.lastname: Xu
authors.affiliation: Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China.
authors.forename: Hongtao
authors.initials: H
authors.lastname: Lei
mesh_terms: D000818:Animals; D000906:Antibodies / Q000276:immunology*; D024841:Fluoroquinolones / Q000032:analysis* / Q000138:chemical synthesis / Q000276:immunology*; D006241:Haptens / Q000737:chemistry* / Q000276:immunology*; D007124:Immunoenzyme Techniques / Q000379:methods*; D049449:Luminescence; D008892:Milk / Q000737:chemistry; D008958:Models, Molecular; D015394:Molecular Structure; D010078:Oxazines / Q000032:analysis* / Q000138:chemical synthesis / Q000276:immunology*
chemical_list: D000906:Antibodies; D024841:Fluoroquinolones; D006241:Haptens; D010078:Oxazines; C078052:pazufloxacin