Theory-screened MOF-based single-atom catalysts for facile and effective therapy of biofilm-induced periodontitis.

[Display omitted] • The nanozymes activities of single-atom dopped MOF is presented. • Theoretical calculation screens the optimal oxidase-like single-atom dopped MOF. • The PCN-222-Pt has a strong dual enzyme-like activity and ROS generation ability. • The PCN-222-Pt shows excellent anti-biofilm performance within 1 h. • Periodontitis can be efficiently treated by injectable PCN-222-Pt nanozymes ointment. Periodontitis is a chronic inflammatory disease caused by the bacteria infection in dental plaque, which can lead to gingival recession and tooth loss, seriously endangering human oral health. Current treatments through the combination of mechanical debridement and antibiotics therapy still have the problems of gingival trauma, low treatment efficiency, long treatment cycle and bacterial resistance. Herein, we prepare an injectable ointment based on MOF-based single-atom catalysis systems with good biocompatibility and high anti-biofilm activity, which consists of PEG-400/PEG-4000 and Pt single-atom doped porphyrin metal−organic framework (PCN-222-Pt). Through theoretical screening, we find that all the metal single atoms (Pt, Au, Cu, Ru) can improve the oxidase-like activity of PCN-222, which reduce the adsorption and activation energy of O 2. Among them, PCN-222-Pt shows strong oxidase-like and peroxidase-like activities and can produce reactive oxygen species spontaneously, which shows an excellent anti-biofilm performance (98.69% against S. aureus biofilm, 99.91% against E. coli biofilm) in vitro within 1 h. In the treatment of biofilm-induced periodontitis, the injectable PCN-222-Pt ointment showed alleviative inflammation response, reduced bone destruction and healthier gum tissue, which is superior to the clinical used Periocline. This work provides a rapid, effective, non-invasive and convenient strategy for the treatment of periodontitis without antibiotics. [ABSTRACT FROM AUTHOR]