comparative molecular docking and recombinant expression analysis of kisspeptin g and c allelic forms in 𝐸𝑠𝑐ℎ𝑒𝑟𝑖𝑐ℎ𝑖𝑎 𝑐𝑜𝑙𝑖

Kisspeptin peptides are activated through the molecular interactions with g protein-coupled receptor known as gpr54. this plays essential role in initiating the mammalian fertility process, especially in patients with polycystic ovary syndrome (pcos). to increase our knowledge, this study was aimed to differentially analyze the molecular interactions and the heterologous expressions of the amplified g and c allelic forms (specific single nucleotide variants in exon 3 of kiss1) isolated from pcos patients. the interactive structures were analyzed by molecular docking computational method. with his tag-based recombinant technology, the heterologous expressions of test kisspeptins were examined in escherichia coli cells. kisspeptin g and c products (exhibiting proline to arginine substitutions with three-dimensional structural variations) were predicted interact strongly and differentially with the receptor molecule gpr54 with binding energies of -226.49 and -217. 71 kcal/ mol, respectively. the results from expression analysis demonstrated that the growth of recombinant bacteria carrying g an c alleles is significantly affected by about 48-52% as compared to non-recombinants. as a first report, the high affinity interactive pattern between kisspeptin variants and receptor protein, as well as their inhibitory effects on cell growth is suggested that they may affect the physiology and etiology of pcos patients.