Introducing Broadened Antibacterial Activity to Rhodanine Derivatives Targeting Enoyl-Acyl Carrier Protein Reductase.
Broadened antibacterial activity was introduced to rhodanine derivatives targeting Mycobacterial tuberculosis enoyl-acyl carrier protein reductase (Mtb InhA) by recruiting feature of xacins to bring DNA Gyrase B inhibitory capability. This is significant for preventing further bacterial injections in the tuberculosis treatment. The most potent compound Cy14 suggested comparable bioactivity (IC50 = 3.18 µM for Mtb InhA; IC50 = 10 nM for DNA Gyrase B) with positive controls. Structure-activity relationship discussion and molecular docking model revealed the significance of rhodanine moiety and derived methoxyl on meta-position, pointing out orientations for future modification.
['Sun|Zhi-Gang|ZG|', 'Xu|Yun-Jie|YJ|', 'Xu|Jian-Fei|JF|', 'Liu|Qi-Xing|QX|', 'Yang|Yu-Shun|YS|', 'Zhu|Hai-Liang|HL|']
D000213:Acyl Carrier Protein D000900:Anti-Bacterial Agents D001426:Bacterial Proteins D004791:Enzyme Inhibitors D010088:Oxidoreductases D011550:Pseudomonas aeruginosa D012236:Rhodanine D013211:Staphylococcus aureus D013329:Structure-Activity Relationship
rhodanine enoyl-acyl carrier protein reductase DNA Gyrase B molecular docking bacterial infection computer assistant drug design