Oxford Drug Design attended the JPI-AMR workshop on “Getting small drug-like molecules into Gram-negative bacteria”. This workshop provided an excellent opportunity to exchange ideas on the many factors influencing uptake and persistence of drug-like compounds into Gram-negative bacteria with others working in this field.
Dr. Michael Charlton presented on our work to model bacterial penetration data extracted from the ChEMBL database. The work shows minimal difference in physical properties between antibacterial and non-antibacterial compounds, in contrast to literature studies of smaller data sets. However, analysis of the database using our proprietary ElectroShape descriptors shows regions of chemical space that are rich in antibacterials whilst other zones have a surplus of non-antibacterial molecules.
For more information, or a copy of Michael’s slides, please Contact Us.