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. Author manuscript; available in PMC: 2022 May 13.
Published in final edited form as: J Med Chem. 2021 May 5;64(9):6262–6272. doi: 10.1021/acs.jmedchem.1c00296

Figure 2.

Figure 2.

Rationale for introducing a tether between P2 and P4 in the DPLG-2 scaffold. A) X-ray crystal structure of acyclic N,C-capped dipeptide DPLG-2 in Mtb20SOG (PDB code 5TRG). DPLG-2 is shown in magenta. Hydrogen bonds are indicated by dashed yellow lines. The red arrow depicts the potential for macrocyclization between the P2 and P4 groups. B) Our initial macrocyclic strategy for the design of novel Mtb20S selective inhibitors. The P2 and P4 groups are linked with the conformationally flexible alkyl or ether linkers.