QSRR analysis of β-lactam antibiotics on a penicillin G targeted MIP stationary phase

Anal Bioanal Chem. 2010 Dec;398(7-8):3087-96. doi: 10.1007/s00216-010-4254-y. Epub 2010 Oct 9.

Abstract

The imprinting factors of the β-lactam antibiotics penicillin V, methicillin, nafcillin, oxacillin, cloxacillin, dicloxacillin, and piperacillin on a poly(methacrylic acid-co-trimethylolpropane trimethacrylate) molecularly imprinted stationary phase targeted for penicillin G were correlated with molecular descriptors obtained by molecular computation. One-parameter linear regression and multivariate data analysis by principal component analysis and partial least square regression indicated that descriptors associated with molecular topology, shape, size, and volume were highly correlated with the imprinting factor and influential on the derived models.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Least-Squares Analysis
  • Molecular Imprinting / methods*
  • Polymethacrylic Acids / chemistry*
  • Principal Component Analysis
  • Quantitative Structure-Activity Relationship
  • beta-Lactams / chemistry*

Substances

  • Polymethacrylic Acids
  • beta-Lactams