Stereospecific recognition and quantitative structure-activity relationship between antibodies and enantiomers: ofloxacin as model haptenстатья
Статья опубликована в высокорейтинговом журнале
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 2 апреля 2015 г.
Аннотация:In this study, ofloxacin stereoisomers were chosen as a simple model to investigate the sterospecific recognition of chiral haptens and antibodies. Three polyclonal antibodies were raised and showed a relatively high enantioselectivity and an excellent sensitivity. Comparative molecular field analysis, and comparative molecular similarity indices analysis were employed to investigate the chiral recognition between antibody and ofloxacin enantiomer, and all the models yield high correlation and predictive ability. It was found that chiral discrimination probably caused by steric hindrance; the antibody sterospecificity could be ascribed to the variation of R1 and R3 groups of quinolones; the common structure of quinolones is also essential in the hapten-antibody recognition. The recognition between chiral haptens and antibodies were co-affected by multiple interaction forces, and those forces were defined explicitly at sub-structure level. An illustrative enhanced model with good simplicity and universality was also developed for better understanding the sterospecific recognition of ofloxacin enantiomers and antibodies for the first time. This work provides insights into the sterospecific recognition of chiral hapten and antibody