Antibiotic resistance is a global issue, and several efforts is needed to fight it. One of these efforts is the discovery and development of new antibiotics. One recently discovered potential antibiotic class is the 1,2,4-oxadiazole derivates. The contents of this report cover the development of two 3D-QSAR models and the attempt to identify a plausible binding mode to the oxadiazoles target, PBP2a. Furthermore, two methods of synthesizing the oxadiazole antibacterials is investigated.
One of the two models developed were predictive and could be used to roughly predict activity of oxadiazole derivates. The other model performed poorly on its external test set and is therefore not fit for predicting antibacterial activity. A plausible binding mode was not identified in this project. The two methods of synthesis investigated in this report was unsuccessful, and further work is needed to successfully synthesis oxadiazole derivates with these two synthetic methods.