Metabolite Profiling and In Silico of Four Varieties of Black Soybeans (Glycine soja) As Candidate for Preeclampsia Treatment

Preeclampsia, a specific abnormality in pregnancy characterized by high blood pressure, is the leading cause of maternal and perinatal morbidity and mortality worldwide. Black soybean (Glycine soja) is herbal drug that can serve as a preventive therapy for preeclampsia. The isoflavone constituents of black soybean have anti-androgenic and phytoestrogenic properties via inhibition of the androgen receptor, modulation of miR-۲۲, and increased expression of ERa and estradiol levels. The aim of this study was to find out what kinds of metabolites were in the ۹۶% ethanol extract of four different types of G. soja (DETAM ۱, DETAM ۲, DETAM ۳ Prida and DETAM ۴ Prida) and how they might interact with the estrogen receptor alpha (ERα) and the androgen receptor (AR) using molecular docking. Compound structures were downloaded from PubChem, and ۳D protein receptor structures were prepared. PyRx ۰.۸ and AutoDock methods were used to determine binding energy and inhibition mechanisms. The metabolite profiling results show a total of ۳۱, ۲۸, ۲۴, and ۲۰ identified compounds in DETAM ۱, DETAM ۲, DETAM ۳ Prida and DETAM ۴ Prida, respectively, and a total of nine types of phytoestrogens are contained in the four variants of G. soja. In contrast, molecular docking suggests that ginsenoside is the phytoestrogen most likely to strongly bind ERα (۲OFC) while daidzein, genistein, and glycitein are the most likely to strongly bind AR (۱T۶۵). This indicates that developing G. soja as an alternative therapy for preeclampsia is a promising prospect.

کلیدواژه ها:

Glycine soja ، In Silico ، Metabolite profiling ، Phytoestrogen ، UPLC-QToF-MS/MS