PMID- 26976361 OWN - NLM STAT- MEDLINE DCOM- 20161215 LR - 20161230 IS - 1520-6882 (Electronic) IS - 0003-2700 (Linking) VI - 88 IP - 7 DP - 2016 Apr 5 TI - Broad-Specificity Chemiluminescence Enzyme Immunoassay for (Fluoro)quinolones: Hapten Design and Molecular Modeling Study of Antibody Recognition. PG - 3909-16 LID - 10.1021/acs.analchem.6b00082 [doi] AB - 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. FAU - Zeng, Haopeng AU - Zeng H AD - Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China. FAU - Chen, Jiahong AU - Chen J AD - Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China. FAU - Zhang, Chijian AU - Zhang C AD - Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China. FAU - Huang, Xin-An AU - Huang XA AD - Tropical Medicine Institute & South China Chinese Medicine Collaborative Innovation Center, Guangzhou University of Chinese Medicine , Guangzhou, 510405, P. R. China. FAU - Sun, Yuanming AU - Sun Y AD - Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China. FAU - Xu, Zhenlin AU - Xu Z AD - Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China. FAU - Lei, Hongtao AU - Lei H AD - Guangdong Provincial Key Laboratory of Food Quality and Safety/College of Food Science, South China Agricultural University , Guangzhou, 510642, P. R. China. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20160325 PL - United States TA - Anal Chem JT - Analytical chemistry JID - 0370536 RN - 0 (Antibodies) RN - 0 (Fluoroquinolones) RN - 0 (Haptens) RN - 0 (Oxazines) RN - 4CZ1R38NDI (pazufloxacin) SB - IM MH - Animals MH - Antibodies/*immunology MH - Fluoroquinolones/*analysis/chemical synthesis/*immunology MH - Haptens/*chemistry/*immunology MH - Immunoenzyme Techniques/*methods MH - *Luminescence MH - Milk/chemistry MH - *Models, Molecular MH - Molecular Structure MH - Oxazines/*analysis/chemical synthesis/*immunology EDAT- 2016/03/16 06:00 MHDA- 2016/12/16 06:00 CRDT- 2016/03/16 06:00 PHST- 2016/03/16 06:00 [entrez] PHST- 2016/03/16 06:00 [pubmed] PHST- 2016/12/16 06:00 [medline] AID - 10.1021/acs.analchem.6b00082 [doi] PST - ppublish SO - Anal Chem. 2016 Apr 5;88(7):3909-16. doi: 10.1021/acs.analchem.6b00082. Epub 2016 Mar 25.