Data‐Driven Identification of Hydrogen Sulfide Scavengers

Hydrogen sulfide (H2S) is an important signaling molecule whose up‐ and down‐regulation have specific biological consequences. Although significant advances in H2S up‐regulation, by the development of H2S donors, have been achieved in recent years, precise H2S down‐regulation is still challenging. The lack of potent/specific inhibitors for H2S‐producing enzymes contributes to this problem. We expect the development of H2S scavengers is an alternative approach to address this problem. Since chemical sensors and scavengers of H2S share the same criteria, we constructed a H2S sensor database, which summarizes key parameters of reported sensors. Data‐driven analysis led to the selection of 30 potential compounds. Further evaluation of these compounds identified a group of promising scavengers, based on the sulfonyl azide template. The efficiency of these scavengers in in vitro and in vivo experiments was demonstrated.