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Updated: Jul 20, 2026

The Use of a β-lactamase-based Conductimetric Biosensor Assay to Detect Biomolecular Interactions
Published on: February 1, 2018
Computational study of pharmacophores: beta-lactams
1Charles Sturt University, P.O. Box 883, Orange NSW 2800, Australia. inovak@csu.edu.au
Abstract:
The thermochemistry of bicyclic lactams (penams, penems, cephams, cephems), which are key pharmacophores in beta-lactam antibiotics, has been investigated by high-level ab initio methods. Particular attention has been paid to estimating magnitudes of amide resonance (ARE) and ring strain (RSE) in the four-member lactam ring because these quantities are difficult to measure and distinguish experimentally. The ring strain destabilization effect is greater than the stabilization arising from amide resonance. However, in cephemes the amide resonance stabilization slightly exceeds destabilization due to the beta-lactam ring strain.
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