Abstract
The in silico methods for predicting bioactive peptides are economical and time-saving. Also, in silico simulation prevents additional costs in in vitro experiments. The in silico BPs’ prediction is performed according to the quantitative structure–activity relationship principles. Selection of the appropriate enzyme(s) for digestion is the most important step in BPs’ prediction. The stages for BPs’ prediction include (1) selection of a food protein, (2) obtaining amino acid sequence of the selected protein, (3) enzymatic digestion, and (4) searching the obtaining fragments throughout the BP databases such as BIOPEP-UMW database. Bioactivity of the fragments that are not registered in the databases is predicted using molecular docking simulation.
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