Design, synthesis and computational studies of new azaheterocyclic coumarin derivatives as anti-<i>Mycobacterium tuberculosis</i> agents targeting enoyl acyl carrier protein reductase (InhA)
Rasha Z. Batran, Ahmed Sabt, Jarosław Dziadek, Asmaa F. Kassem
RSC Advances · 2024-01
Abstract
value of 0.565 μM, which was superior to the reference InhA inhibitor triclosan. Molecular docking of compound 4c within the InhA active site revealed the importance of the 4-phenylcoumarin ring system and tetrazole moiety for activity. Finally, the physicochemical properties and pharmacokinetic parameters of 4c were investigated.
MeSH terms
- INHA
- Coumarin
- Mycobacterium tuberculosis
- Reductase
- Chemistry
- Tuberculosis
- Combinatorial chemistry
- Enzyme
- Biochemistry