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
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.
Topics & Concepts
INHACoumarinMycobacterium tuberculosisReductaseChemistryTuberculosisCombinatorial chemistryEnzymeBiochemistryMedicineOrganic chemistryPathologySynthesis and biological activityClick Chemistry and ApplicationsSynthesis of β-Lactam Compounds