Exploration of anti-osteoporotic peptides from Moringa oleifera leaf proteins by network pharmacology, molecular docking, molecular dynamics and cellular assay analyses

Moringa oleiferaleaf peptide, which is a plant-derived bioactive peptide, exhibits several advantages, including safety, high efficiency and nontoxic side effects. The goal of this study was to identify representative antiosteoporotic peptides fromMoringa oleiferaleaf proteins and determine their regulatory mechanisms using network pharmacology, molecular docking and molecular dynamics. The following core targets of Moringa oleifera leaf antiosteoporotic peptides were screened by network pharmacology: SRC, MAPK1, JUN and STAT3. Through molecular docking, DPYLGK was identified as a representative active peptide from the Moringa oleifera leaf protein, and SRC was determined to be a potential primary target. Molecular dynamics revealed the intermolecular mechanism of DPYLGK and SRC. Cellular assays showed that DPYLGK promotes bone formation and inhibits bone resorption. These findings demonstrated that DPYLGK is an anti-osteoporotic peptide with dual regulatory effects and will aid in the development of functional foods to prevent osteoporosis.