Aggregate-induced emission luminogens (AIEgens) have been widely used in biological imaging, chemical sensing, and disease treatments. The rational design and construction of AIEgens have received considerable research interests during the last few years. Herein, molecular docking-aided AIEgen design has been reasonably proposed and AIEgen TBQZY with excellent ¹O₂ generation ability has been synthesized. The newly developed TBQZY could efficiently kill S. epidermidis and methicillin-resistant S. epidermidis (MRSE) by tightly binding to bacteria and triggering the accumulation of ¹O₂ in bacteria. TBQZY specifically regulated the immune system and polarized macrophages from M1 to M2 to accelerate the elimination of biofilm in vivo. In addition, healing acceleration was observed in chronic wounds treated with TBQZY, and side effects were negligible. Meanwhile, TBQZY had extraordinary potential for combating drug-resistant bacteria in the clinical setting. This research not only provided new concepts for the design of AIEgens, but also shed some lights on the discovery of drugs against drug-resistant bacteria.

聚集诱导发射发光体（AIEgens）已广泛应用于生物成像、化学传感和疾病治疗。 AIEgens 的合理设计和构造在过去几年中引起了相当大的研究兴趣。在此，合理提出了分子对接辅助的AIEgen设计，并合成了具有优异的 ¹ O ₂ 生成能力的AIEgen TBQZY。新开发的TBQZY通过与细菌紧密结合并触发细菌内 ¹ O ₂ 的积累，有效杀灭表皮葡萄球菌和耐甲氧西林表皮葡萄球菌（MRSE）。 TBQZY特异性调节免疫系统，将巨噬细胞从M1极化至M2，加速体内生物膜的消除。此外，在用 TBQZY 治疗​​的慢性伤口中观察到愈合加速，并且副作用可以忽略不计。同时，TBQZY 在临床环境中对抗耐药细菌具有非凡的潜力。这项研究不仅为AIEgens的设计提供了新的概念，也为抗耐药细菌药物的发现提供了一些线索。