Publication date: Oct 01, 2024
A set of alkyl-/1H-1,2,3-triazole-based dimers was strategically designed and synthesized to evaluate their in vitro anti-mycobacterial activities against Mycobacterium tuberculosis and the non-tuberculous Mycobacterium abscessus strains. Systematic variations in the nature (alkyl/1H-1,2,3-triazole) and positioning of the linker were implemented based on the docking scores observed in the binding sites identified in the crystal structures of InhA from M. tuberculosis and M. abscessus. However, the in vitro evaluation results revealed that the synthesized compounds did not exhibit inhibitory effects on the growth of mycobacteria, even at the highest tested concentrations. The elevated lipophilicity values determined through ADMET studies for these synthesized dimers might be a contributing factor to their poor activity profiles.
| Concepts | Keywords |
|---|---|
| Docking | anti-mycobacterial |
| Highest | click chemistry |
| Microwave | InhA |
| Mycobacteria | M. abscessus |
| Tuberculosis | triclosan |
Semantics
| Type | Source | Name |
|---|---|---|
| drug | DRUGBANK | Triclosan |
| disease | MESH | tuberculosis |
| pathway | KEGG | Tuberculosis |