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Multi-omics integration revealed a high-inflammation, high-oxidation, low-metabolism triad, which is mainly regulated by the Stat1-(2-carboxypropyl)-Cysteamine-C3 interaction axis

Although molecular modeling is a large subject, the three most popular computer modeling componentsmolecular docking, MD simulation, and ADMET modelinghave proven essential to the simple identification of leads for experimental in vitro and in vivo testing [193,194,195,196]

Nevertheless, much work is still needed to optimize its effectiveness

Compounds were annotated by matching to LCMS method-specific retention time values of external standards and MS 2 spectral matching to external standards and the mzCloud database (Thermo Scientific)