Projects per year
Our findings reported herein, provide support for the benefits of including functional group complexity (FGC) within fragments when screening against protein targets such as Mycobacterium tuberculosis InhA. We show that InhA fragment actives with FGC maintained their binding pose during elaboration. Furthermore, weak fragment hits with functional group handles also allowed for facile fragment elaboration to afford novel and potent InhA inhibitors with good ligand efficiency metrics for optimization.
- Journal article
- Fragment based drug discovery
- Functional group complexity
- fragment based drug discovery
- functional group complexity
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- 2 Finished
1/03/14 → 31/08/15
1/01/13 → 30/06/14