Gossypin

Oxidative stress, caused by an imbalance between reactive oxygen species and antioxidants, drives chronic diseases such as cancer and neurodegeneration. This study investigates the antioxidant potential of three flavonoids from the Malvaceae family─gossypetin, gossypin, and hibifolin─using DPPH (radical scavenging) and FRAP (reducing power) assays, backed by quantum mechanical computations. Gossypetin displayed exceptional scavenging (TEAC: 111.53 mM/g) and reducing power (TEAC: 155.24 mM/g), thanks to its hydroxyl-rich structure, positioning it as a promising therapeutic option for oxidative stress-related conditions. Gossypin provided moderate scavenging (TEAC: 41.68 mM/g) but robust reducing capacity (TEAC: 126.28 mM/g), making it well-suited for food preservation. Hibifolin, with its stable glucuronyl group, showed balanced scavenging and reducing abilities (TEAC: 39.99 mM/g; 94.67 mM/g), ideal for nutraceuticals. Quantum mechanical analyses revealed the mechanisms behind these antioxidant effects, shedding light on their performance.

Polygonatum cyrtonema Hua (PCH) underwent a series of transforms in its composition and had potential biological activities after steamed processing. In this study, LC-MS/MS datasets of chemical components in raw and steamed PCH were collected, and chemical profiling of PCH showed significant differences after steaming. Global Natural Products Social Molecular Network (GNPS-MN) combined with MCnebula2 were further used to annotate compound structures and data visualization. Through molecular network analysis, it is easier to discover the connections deduce the transformation of the components before and after steaming. Afterwards, the activity of transformed components was evaluated through cell models. Based on this strategy, 43 saponins and 31 flavonoid components were labeled in raw and steamed PCH. Among them, 27 saponins and 26 flavonoids were found only in steamed products, and the possible transformed pathways were speculated. Most saponins and flavonoids underwent glycosidic bond cleavage during the steaming process. Cell viability experiments indicated that steamed products improved renal fibrosis better than raw products, and the transformed components have better anti-renal fibrosis activity. This study reveals the influence of steaming on the chemical composition and structure, which provides a basis for subsequent exploration of active ingredients in steamed PCH.