Tuberculosis and fungal infections can pose serious threats to human health. In order to find novel antimicrobial agents, 26 novel quinoxaline-1,4-di-N-oxides containing a thiazolidinone moiety were designed and synthesized, and their antimycobacterial activities were evaluated. Among them, compounds 2t, 2u, 2y, and 2z displayed the most potent antimycobacterial activity against Mycobacterium tuberculosis strain H37Rv (minimal inhibitory concentration [MIC] = 1.56 μg/mL). The antifungal activity of all the compounds was also evaluated against Candida albicans, Candida tropicalis, Aspergillus fumigatus, and Cryptococcus neoformans. Compounds 2t, 2u, 2y, and 2z exhibited potential antifungal activities, with an MIC between 2 and 4 μg/mL. Comparative molecular field analysis (CoMFA: q² = 0.914, r² = 0.967) and comparative molecular similarity index analysis (CoMSIA: q² = 0.918, r² = 0.968) models were established to investigate the structure and antimycobacterial activity relationship. The results of contour maps revealed that electronegative and sterically bulky substituents play an important role in the antimycobacterial activity. Electronegative and sterically bulky substituents are preferred at the C7 position of the quinoxaline ring and the C4 position of the phenyl group to increase the antimycobacterial activity. Additionally, more hydrogen bond donor substituents should be considered at the C2 side chain of the quinoxaline ring to improve the activity.

结核和真菌感染可对人类健康构成严重威胁。为了找到新的抗菌剂，使用了26种新的喹喔啉-1,4-二-ñ设计并合成了含有噻唑烷酮部分的α-氧化物，并评估了它们的抗分枝杆菌活性。其中，化合物2吨， 2u， 2年和 2z 表现出最有效的抗分枝杆菌活性 结核分枝杆菌H37Rv菌株（最小抑菌浓度[MIC] = 1.56μg/ mL）。还评估了所有化合物的抗真菌活性白色念珠菌，热带念珠菌，烟曲霉和 新型隐球菌。化合物2吨， 2u， 2年和 2z具有潜在的抗真菌活性，MIC在2-4μg/ mL之间。比较分子场分析（CoMFA：q² = 0.914，[R² = 0.967）和比较分子相似性指数分析（CoMSIA：q² = 0.918，[R^建立2 = 0.968）模型以研究结构与抗分枝杆菌活性的关系。等高线图的结果表明，负电和空间上大的取代基在抗分枝杆菌活性中起重要作用。为了增加抗分枝杆菌的活性，在喹喔啉环的C7位和苯基的C4位优选电负和空间上大的取代基。此外，应在喹喔啉环的C2侧链考虑更多的氢键供体取代基，以提高活性。