Virtual Screening of Soybean Protein Isolate-Binding Phytochemicals and Interaction Characterization.

ABSTRACT: Soybean protein isolate (SPI) and small molecule interactions have drawn more and more attention regarding their benefits for both parts, while research on large-scale investigations and comparisons of different compounds is absent. In this study, a high throughput virtual screening was applied on a phytochemical database with 1130 compounds to pinpoint the potential SPI binder. Pentagalloylglucose, narcissoside, poliumoside, isoginkgetin, and avicurin were selected as the top-five ranking molecules for further validation. Fluorescence quenching assays illustrated that isoginkgetin has a significantly higher apparent binding constant (Ka) of (0.060 ± 0.020) × 10⁶ L·mol^-1, followed by avicularin ((0.058 ± 0.010) × 10⁶ L·mol^-1), pentagalloyl

SUBMITTER: Liu P 

PROVIDER: S-EPMC9857816 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature