REFiL, binding affinity and BRD3-ET

Latest research from the Centre, Rapid Elaboration of Fragments into Leads Applied to Bromodomain-3 Extra Terminal Domain, published in ChemRxiv, March 2020.

The research team use an integrated workflow for the Rapid Elaboration of Fragments into Leads (REFiL) that provides a systematic approach to generate higher-affinity binders without the need for structural information.

Adams, L. A., Wilkinson-White, L. E., Gunzburg, M. J., Headey, S. J., Scanlon, M. J., Capuano, B., Mackay, J. P., and Doak, B. C. Rapid Elaboration of Fragments into Leads Applied to Bromodomain-3 Extra Terminal Domain. ChemRxiv. 2020. 10.26434/chemrxiv.12026952

Benzofuran hit into new class of EcDsbA inhibitors

The research paper, The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors, was published in Molecules, October 2019. The work takes a fragment-based drug discovery approach to target the thiol-disulfide oxidoreductase enzyme DsbA from Escherichia coli (EcDsbA). It suggests the potential to develop benzofuran fragments into a novel class of EcDsbA inhibitors.

Duncan, L., Wang, G., Ilyichova, O. V., Scanlon, M. J., Heras, B. M., & Abbott, B. The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules 201924(20), 3756. https://doi.org/10.3390/molecules24203756

VR app for teaching biochem students


New research, Peppy: A virtual reality environment for exploring the principles of polypeptide structure, published in Protein Science, 2020.

Joel Mackay (USYD) and collaborators built a virtual reality application, ‘Peppy’ aimed at facilitating teaching of the principles of protein secondary structure to undergraduate biochemistry students. Research findings on the implementation and use of Peppy, as well as outcomes of deploying Peppy in undergraduate biochemistry courses were first published in October 2019 in Protein Science.

The application is novel, dynamic and fun to use, allowing “exploration of the relative effects of hydrogen bonding, backbone φ/ψ angles, basic chemical structure, and steric effects on a polypeptide structure”.

Doak, D., Denyer, G., Gerrard, J., Mackay, J., Allison, J. Peppy: A Virtual Reality Environment For Exploring The Principles Of Polypeptide Structure. Protein Science. 2020. 29:157–168. https://doi.org/10.1002/pro.3752.