In-Silico Screening of Seahorse-Derived Compounds Targeting Kisspeptin, GnRH, FSH, and LH Receptors for Reproductive Health Applications

Natural ingredients derived from plants and animals, such as those associated with seahorses (Hippocampus sp.), exhibit numerous benefits, including overcoming health problems. The seahorse is a marine teleost fish with many  reproductive health benefits, according to the literature, 20 active substances in seahorses are thought to be beneficial in the reproductive system.   In silico studies are necessary as an initial step in determining how the bioactivity of active substances in seahorses affects the reproductive system, via investigations of kisspeptin (KISS1), gonadotropin releasing hormone (GnRH), follicle stimulating hormone (FSH), and luteinizing hormone (LH) receptors. In this study, target protein structures ware obtained from the Protein Data Bank (https://www.rcsb.org/), molecular docking analysis was carried out using MOE.2022.02 software, and a drug-likeness test was performed using Lipinski’s rule of five via the server at https://www.scfbio-iitd.res.in/. Additionally, a toxicity test was conducted using the pKCSM server at https://biosig.lab.uq.edu.au/pkcsm/. The analytical results show that oleic acid is the most effective compound, with good bioavailability, non-toxicity, and the ability to bind to KISS1, GnRH, FSH, and LH receptors. The study reveals the potential of seahorses in the isolation  of natural products with medicinal value.