Molecular docking analysis of Carica papaya leaf’s bioactive components as prolactin production modulator

Abstract

Prolactin plays an important role in lactation, particularly in mammary epithelial cell differentiation, milk synthesis, and milk secretion. A sufficient level of prolactin during the lactation phase can support the success of breastfeeding and the baby’s growth. Some breastfeeding mothers consume a variety of herbs to enhance their breast milk production, including Carica papaya leaves. This study aimed to identify and analyze the potential of active compounds in C. papaya leaves for the production of prolactin hormones. Molecular docking was conducted with Swiss target prediction, PASS SERVER, SEA, STITCH, STRING, PyRx, PyMol, and BioVia Discovery Studio 2019. The results showed that the active compounds of C. papaya, beta-carotene, have the lowest binding affinity to estrogen (17.4 kcal/mol) and leptin (−6.9 kcal/mol) than other active compounds. Kaempferol (−7.7 kcal/mol) and quercetin (−7.7 kcal/mol) have the lowest binding affinity through aromatase than other active compounds. The C. papaya active compounds were predicted to interfere with the prolactin hormone production through estrogen, leptin, and aromatase. All compounds interact either directly or indirectly with these proteins. Therefore, C. papaya leaves have the potential to be used as one of the natural resources acting out as galactagogue.