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Updated: Jan 21, 2026

The Use of a β-lactamase-based Conductimetric Biosensor Assay to Detect Biomolecular Interactions
Published on: February 1, 2018
An Efficient Computational Assay for β-Lactam Antibiotic Breakdown by Class A β-Lactamases
Viivi H A Hirvonen1,2, Katharine Hammond2, Ewa I Chudyk2
1School of Biochemistry , University of Bristol , University Walk, Bristol BS8 1TD , United Kingdom.
None:
Class A β-lactamases cause clinically relevant resistance to β-lactam antibiotics. Carbapenem degradation is a particular concern. We present an efficient QM/MM molecular simulation protocol that accurately predicts the activity of β-lactamases against carbapenems. Simulations take less than 24 CPU hours, a greater than 99% reduction, and do not require fitting against experimental data or significant parametrization. This computational assay also reveals mechanistic details of β-lactam breakdown and should assist in evaluating emerging β-lactamase variants and developing new antibiotics.
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