PMID- 26982746
OWN - NLM
STAT- MEDLINE
DCOM- 20161213
LR  - 20161230
IS  - 1520-5118 (Electronic)
IS  - 0021-8561 (Linking)
VI  - 64
IP  - 13
DP  - 2016 Apr 6
TI  - Investigation of an Immunoassay with Broad Specificity to Quinolone Drugs by 
      Genetic Algorithm with Linear Assignment of Hypermolecular Alignment of Data Sets 
      and Advanced Quantitative Structure-Activity Relationship Analysis.
PG  - 2772-9
LID - 10.1021/acs.jafc.6b00039 [doi]
AB  - A polyclonal antibody against the quinolone drug pazufloxacin (PAZ) but with 
      surprisingly broad specificity was raised to simultaneously detect 24 quinolones 
      (QNs). The developed competitive indirect enzyme-linked immunosorbent assay 
      (ciELISA) exhibited limits of detection (LODs) for the 24 QNs ranging from 0.45 
      to 15.16 ng/mL, below the maximum residue levels (MRLs). To better understand the 
      obtained broad specificity, a genetic algorithm with linear assignment of 
      hypermolecular alignment of data sets (GALAHAD) was used to generate the desired 
      pharmacophore model and superimpose the QNs, and then advanced comparative 
      molecular field analysis (CoMFA) and advanced comparative molecular similarity 
      indices analysis (CoMSIA) models were employed to study the three-dimensional 
      quantitative structure-activity relationship (3D QSAR) between QNs and the 
      antibody. It was found that the QNs could interact with the antibody with 
      different binding poses, and cross-reactivity was mainly positively correlated 
      with the bulky substructure containing electronegative atom at the 7-position, 
      while it was negatively associated with the large bulky substructure at the 
      1-position of QNs.
FAU - Chen, Jiahong
AU  - Chen J
AD  - Guangdong Provincial Key Laboratory of Food Quality and Safety, Guangdong 
      Provincial Engineering & Technique Research Centre of Food Safety Detection and 
      Risk Assessment, South China Agricultural University , Guangzhou 510642, China.
FAU - Lu, Ning
AU  - Lu N
AD  - Guangdong Provincial Key Laboratory of Food Quality and Safety, Guangdong 
      Provincial Engineering & Technique Research Centre of Food Safety Detection and 
      Risk Assessment, South China Agricultural University , Guangzhou 510642, China.
FAU - Shen, Xing
AU  - Shen X
AD  - Guangdong Provincial Key Laboratory of Food Quality and Safety, Guangdong 
      Provincial Engineering & Technique Research Centre of Food Safety Detection and 
      Risk Assessment, South China Agricultural University , Guangzhou 510642, China.
FAU - Tang, Qiushi
AU  - Tang Q
AD  - Guangdong Provincial Key Laboratory of Food Quality and Safety, Guangdong 
      Provincial Engineering & Technique Research Centre of Food Safety Detection and 
      Risk Assessment, South China Agricultural University , Guangzhou 510642, China.
FAU - Zhang, Chijian
AU  - Zhang C
AD  - Guangdong Provincial Key Laboratory of Food Quality and Safety, Guangdong 
      Provincial Engineering & Technique Research Centre of Food Safety Detection and 
      Risk Assessment, South China Agricultural University , Guangzhou 510642, China.
FAU - Xu, Jun
AU  - Xu J
AD  - School of Pharmaceutical Sciences and Institute of Human Virology, Sun Yat-sen 
      University , 132 East Circle at University City, Guangzhou 510006, China.
FAU - Sun, Yuanming
AU  - Sun Y
AD  - Guangdong Provincial Key Laboratory of Food Quality and Safety, Guangdong 
      Provincial Engineering & Technique Research Centre of Food Safety Detection and 
      Risk Assessment, South China Agricultural University , Guangzhou 510642, China.
FAU - Huang, Xin-An
AU  - Huang XA
AD  - Tropical Medicine Institute and South China Chinese Medicine Collaborative 
      Innovation Center, Guangzhou University of Chinese Medicine , Guangzhou 510405, 
      China.
FAU - Xu, Zhenlin
AU  - Xu Z
AD  - Guangdong Provincial Key Laboratory of Food Quality and Safety, Guangdong 
      Provincial Engineering & Technique Research Centre of Food Safety Detection and 
      Risk Assessment, South China Agricultural University , Guangzhou 510642, China.
FAU - Lei, Hongtao
AU  - Lei H
AD  - Guangdong Provincial Key Laboratory of Food Quality and Safety, Guangdong 
      Provincial Engineering & Technique Research Centre of Food Safety Detection and 
      Risk Assessment, South China Agricultural University , Guangzhou 510642, China.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20160328
PL  - United States
TA  - J Agric Food Chem
JT  - Journal of agricultural and food chemistry
JID - 0374755
RN  - 0 (Fluoroquinolones)
RN  - 0 (Oxazines)
RN  - 0 (Quinolones)
RN  - 4CZ1R38NDI (pazufloxacin)
SB  - IM
MH  - Algorithms
MH  - Enzyme-Linked Immunosorbent Assay
MH  - Fluoroquinolones/immunology/*pharmacology
MH  - Oxazines/immunology/*pharmacology
MH  - *Quantitative Structure-Activity Relationship
MH  - Quinolones/*pharmacology
MH  - Sensitivity and Specificity
OTO - NOTNLM
OT  - QSAR
OT  - broad specificity
OT  - immunoassay
OT  - pazufloxacin
OT  - quinolone
EDAT- 2016/03/17 06:00
MHDA- 2016/12/15 06:00
CRDT- 2016/03/17 06:00
PHST- 2016/03/17 06:00 [entrez]
PHST- 2016/03/17 06:00 [pubmed]
PHST- 2016/12/15 06:00 [medline]
AID - 10.1021/acs.jafc.6b00039 [doi]
PST - ppublish
SO  - J Agric Food Chem. 2016 Apr 6;64(13):2772-9. doi: 10.1021/acs.jafc.6b00039. Epub 
      2016 Mar 28.