In Silico Screening and ADMET Profiling of Daidzein and Genistein from Fermented Soybean (Tempeh) against Antiangiogenic and Inflammatory Proteins: Potential Antipreeclampsia Agents

Abstract

Preeclampsia is a pregnancy complication characterized by multiorgan damage and the latest preeclampsia treatment targets oxidative stress and inflammation. The use of fermented natural products such as fermented soybean, which contains the antioxidants Daidzein and Genistein can ameliorate the aforementioned conditions. Therefore, this study aimed to examine the potential of dainzein and genistein from fermented Soybean Extract (STE) as key protein targets against preeclampsia. Different tools were also used, including Protein Data Bank (PDB), SMILES downloaded from PubChem, and AutoDock 1.5.6. Validation was performed using the RSMD method, while ADMET analysis was conducted with the SwissADME and pkCMS applications. The results showed the presence of daidzein and genistein in tempeh, these two compounds indicated high interaction with all target molecules by forming hydrogen bonds and active residues. Also, ligand binding with sFlt-1 and NLRP3 showed affinity below that of the original ligand, suggesting the need for further studies on the inhibition process. Similarly, MDA and Gasdermin D showed stable affinity binding with hydrogen bonding media (<4Å). The ADMET profile showed that the two compounds have high intestinal absorption, low toxicity, and good bioavailability. These results show that daidzein and genistein from tempeh extract have good predicted druglike-ness property and potential to inhibit the protein targets in preeclampsia pathogenesis, specifically those in oxidative stress and pyroptosis. However, the effectiveness of angiogenic and inflammatory binding needs biological validation for applications as an adjuvant therapy from natural products.