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NIH Research Festival

September 23 – 25, 2024

Identification of environmental compounds that modulate the human kisspeptin receptor

Authors

  • X Chen
  • S Yang
  • L Zhang
  • J Travers
  • R Huang
  • V Jovanovic
  • C Tristan
  • R Sukhawanit
  • C Klumpp-Thomas
  • KL Witt
  • A Simeonov
  • ND Shaw
  • M Xia

Abstract

Kisspeptin is a hypothalamic neuropeptide that regulates mammalian puberty and reproduction by activating a specific receptor, KISS1R, on gonadotropin-releasing hormone (GnRH) neurons to stimulate GnRH secretion. Given the centrality of this signaling pathway to the human reproductive axis, we hypothesized that environmental compounds may alter pubertal timing in children by modulating KISS1R activity. To this end, we conducted a quantitative high-throughput screening of the Tox21 10K compound library using KISS1R over-expressing HEK293 cells (HEK293-KISS1R). In the primary screen, compounds were tested in both agonist and antagonist modes using a Ca2+ flux assay. The primary screen identified 58 potential agonists and 83 potential antagonists of KISS1R. These compounds were further investigated with p-ERK or IP-One (to detect inositol monophosphate, IP1) assays. Six novel KISS1R agonist candidates exhibited p-ERK activity, and 23 potential antagonist candidates inhibited IP1 formation in HEK293-KISS1R cells. We further investigated one KISS1R agonist, musk ambrette, and found that it increased the expression of Gnrh1, a gene downstream of the KISS1R, in both human and mouse hypothalamic cells. Molecular docking simulation predicted that musk ambrette interacts with KISS1R at a low interaction energy of -6.5 kcal/mol by forming hydrogen bonds with amino acid residues of His181, His309, and Gln122. In summary, using the Tox21 10K library screen in combination with cellular, molecular, and structural biology techniques, we identified novel environmental agents that may activate or inhibit the human KISS1R and influence human pubertal timing.

Scientific Focus Area: Chemical Biology

This page was last updated on Tuesday, August 6, 2024

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Current Research Festival

  • 2025
  • 2024
    • General Schedule of Events
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    • National Academy of Science Mini-Symposium
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  • 2023
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  • 2018
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