Potential Mechanisms of Lipid‐Soluble Vitamins Alleviate Brain Damage in Preterm Infants: Integration of Network Pharmacology and Molecular Docking

ABSTRACT Vitamin A, E, and other vitamins have been demonstrated to potentially be used in the treatment of brain injury in preterm infants; however, whether all types of vitamins can be utilized for this purpose remains unclear. In this study, we systematically investigated the therapeutic mechanisms of vitamins in preterm infant brain injury using network pharmacology and molecular docking techniques. A total of 23 potential targets for four vitamin components against preterm infant brain injury were identified through public databases. Key genes mediating preterm infant brain injury were obtained via transcriptome analysis of human cells from the GEO database. The intersection of therapeutic targets for brain injury and key genes revealed potential targets for vitamin action in the treatment of preterm infant brain injury. Protein‐protein interaction (PPI) analysis identified two key targets (PFKFB3 and PDGFRB). KEGG pathway and GO enrichment analyses elucidated the critical pathways. Molecular docking results indicated that the key targets effectively bind with vitamin components (E and Vitamin K) through hydrogen bonds and hydrophobic interactions. This study theoretically explores the potential mechanisms of vitamin therapy for preterm infant brain injury and provides a preliminary theoretical basis for the development and application of vitamins as potential functional therapeutic agents for preventing brain injury in preterm infants.