Molecular network strategies combined with MCnebula2 identify potential active compounds from steamed Polygonatum...

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.