Computational analysis of hGH-receptor interactions and design of next-gen antagonists for therapeutic applications
Human growth hormone (green) with its receptor(cyan and magenta)
Human Growth Hormone (hGH) is a key regulator of growth, metabolism, and tissue repair, acting through specific receptors to trigger a cascade of cellular responses. While essential for normal development and physiological balance, excessive or uncontrolled hGH activity can contribute to disorders such as acromegaly and certain cancers. To address this, growth hormone antagonists are designed to block receptor activation, preventing the downstream signaling that drives abnormal growth. In this project, we are investigating the molecular mechanism of action of growth hormone antagonists to better understand how they disrupt receptor interactions and signaling pathways. This research provides critical insights that can guide the development of next-generation therapeutics aimed at safely and effectively modulating hGH activity.
In this project, we are leveraging advanced computational techniques, including state-of-the-art molecular simulations and free energy perturbation methods, to design next-generation antagonists of human growth hormone (hGH). These approaches allow us to capture the dynamic behavior of hGH and its receptor at atomic resolution, providing deep insights into how antagonists disrupt receptor activation and signaling. By accurately modeling binding energetics and protein–ligand interactions, our research is paving the way for the discovery of innovative therapeutic candidates with enhanced specificity and potency.