Two new sulfur glycosides, bursapastoris A–B (3–4), were extracted and isolated from shepherd’s purse seed, along with two new natural products, 11-(methylsulfinyl)undecanoic acid (2) and 10-(methylsulfinyl)decanoic acid (1). Their structures were determined though infrared spectroscopy, one-dimensional nuclear magnetic resonance (¹H and ¹³C), and electrospray ionization mass spectrometry. Additionally, the structures of 3–4 were further identified by two-dimensional nuclear magnetic resonance (HMBC, HSQC, ¹H-¹H COSY, and NOESY). Compounds 1–4 showed relatively favorable docking to NF-κB. Unfortunately, we only discovered that compound 1–4 had weak anti-radiation activity at present. Therefore, further research regarding the biological activity of these organosulfur compounds is required at a later stage.

Compounds containing sulfur are the primary components of anti-radiation drugs and represent a key focus in the innovative design and discovery of pharmaceuticals. The adverse effects of synthetic sulfur-containing radiation protective agents are significant concerns that cannot be overlooked. It is imperative to identify natural sulfur compounds that exhibit low toxicity and high efficacy as radiation protection agents. Cruciferous plants demonstrate notable resistance to ionizing radiation. The literature review revealed that Lepidii semen and Descurainiae semen, both of which are rich in sulfur compounds and the PI3K/AKT signaling pathway regulates radiation-induced oxidative stress, inflammation, and apoptosis. We speculate that the sulfur compounds of the Lepidii semen and Descurainiae semen may exert radiation protection by regulating the PI3K/AKT signaling pathway, and this hypothesis was supported by molecular docking analysis. The sulfur compounds (glucotropaeolin, gluconapin, glucoiberverin, glucocappasalin, tropeolin, etc.) demonstrate greater potential.