Mother’s milk plays a significant role in infant nutrition. It is well known that exclusive breastfeeding can reduce the risk of various pathogens infection in infants. Colostrum in mother’s milk contains various bioactive factors, especially immunoglobulin A (IgA). However, hormones such as serotonin and prolactin can affect the secretion of a mother’s milk. Serotonin is a neurotransmitter that plays a role in stimulating prolactin secretion by the pituitary gland. Shield Aralia (Polyscias scutellaria), daunmangkokan in Java, has various active compounds, including afzelin, kaempferol, quercetin, quercitrin, and rutin. This study aimed to analyze the potential of the active compounds of P. scutellaria leaves in enhancing breast milk production through in silico analyses of two main proteins, serotonin 5-hydroxytryptamine-2A receptors (5-HT2AR) and prolactin receptors (PRLR). Results of molecular docking studies revealed that active compounds present in P. scutellaria docked at the same site as Risperidone, a known drug that influences serotonin reuptake and used in this study as the positive control agent. These results showed that the active compounds in the P. scutellaria leaves could be used as an alternative medicine to increase breast milk production.