Oxford Drug Design recently attended both the virtual 3rd RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry and UK-QSAR Autumn 2020 meetings. Dr Jerome Wicker presented a poster on AIScape, a machine learning platform for activity and ADME predictions.
Unfortunately due to COVID-19 the events listed have been cancelled. We look forward to meeting you at future events. Oxford Drug Design will be presenting at four events over the next two months: Gordon Research Conference “Disruptive Antibiotics and non-Antibiotic Therapies to Combat Drug-Resistant Bacterial Infections”, 1-6 March, Lucca, Italy. This is one of the […]
Oxford Drug Design attended the joint UK-QSAR/Molecular Graphics and Modelling Society (MGMS) conference on the theme of “Structure Activity Relationships”. Dr Grace Edmund presented the latest developments on our work using the Molecular Mechanics/Generalized Born – Volume Integral (MM/GB-VI) approach to predict ligand-protein binding affinities for a set of E. coli LeuRS inhibitors.
ODD scientists and collaborators have published a research paper describing the discovery of a new class of aminoacyl-tRNA synthetase inhibitors, N-Leucinyl benzenesulfonamides. The binding of inhibitors to the enzyme was measured by using isothermal titration calorimetry. This provided information on enthalpy and entropy contributions to binding, which, together with docking studies, were used for structure–activity […]
Dr. Michael Charlton and Dr. Grace Edmund recently reported our work in the design of novel compounds to target the synthetic active site of Leucyl-tRNA synthetase (LeuRS), responsible for the aminoacylation reaction. The critical role of this site presents a significant barrier to the development of viable mutations and makes it an attractive target for […]
Oxford Drug Design (formerly InhibOx) has started work on a $1.1m (£900k) grant funded project to develop novel antibiotics.