Riboflavin-Vancomycin Conjugate Enables Simultaneous Antibiotic Photo-Release and Photodynamic Killing against Resistant Gram-Positive Pathogens

This dataset was used in the analysis of a new light-activated molecule, VanB2, based on conjugation of the FDA-approved photosensitizer riboflavin to the Gram-positive specific ligand vancomycin for targeted antimicrobial photodynamic therapy. The riboflavin-vancomycin conjugate proved to be a potent and versatile antibacterial agent, enabling the rapid, light-mediated, killing of MRSA and VRE with no significant off-target effects. The attachment of riboflavin on vancomycin also led to an increased in antibiotic activity against S. aureus and VRE. Simultaneously, we evidenced that the flavin sub-unit undergoes an efficient photo-induced bond cleavage reaction to release vancomycin, thereby acting as a photo-removable protecting group for drug-delivery. This dataset is related to the upcoming article "Riboflavin-Vancomycin Conjugate Enables Simultaneous Antibiotic Photo-Release and Photodynamic Killing against Resistant Gram-Positive Pathogens" by B. Mills, A. Kiang, S. M. P. C. Mohanan, M. Bradley, K. Dhaliwal and M. Klausen (submitted to ChemRxiv).

本数据集用于分析新型光活化分子VanB2：该分子将美国食品药品监督管理局（FDA）批准的光敏剂核黄素（riboflavin）与革兰氏阳性菌特异性配体万古霉素（vancomycin）共轭结合，用于靶向抗菌光动力治疗。该核黄素-万古霉素共轭物被证实为一种强效且多功能的抗菌制剂，可在光介导下快速杀灭耐甲氧西林金黄色葡萄球菌（MRSA）与耐万古霉素肠球菌（VRE），且无显著脱靶效应。将核黄素连接至万古霉素之上，还可提升其对金黄色葡萄球菌（S. aureus）与耐万古霉素肠球菌（VRE）的抗菌活性。与此同时，本研究证实该黄素亚基可发生高效的光诱导键裂解反应，释放万古霉素，因此可作为一种用于药物递送的光可移除保护基。本数据集关联B. Mills、A. Kiang、S. M. P. C. Mohanan、M. Bradley、K. Dhaliwal与M. Klausen合著的待发表论文《核黄素-万古霉素共轭物可同时实现抗生素光释放与光动力杀灭耐药革兰氏阳性病原菌》（Riboflavin-Vancomycin Conjugate Enables Simultaneous Antibiotic Photo-Release and Photodynamic Killing against Resistant Gram-Positive Pathogens），该论文已提交至ChemRxiv预印本平台。