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bioRxiv · 10.64898/2026.05.27.728311

Computational Design of Two New 5-HT1B Serotonin Receptor Agonists Derived from Naratriptan

Martin, N. L.·Holmes, S. E.·Siegel, J. B.
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Abstract

Migraine headaches affect over one billion people internationally and can be defined as episodes of acute severe pain wrapping around the head and are normally accompanied by nausea, blurry vision, and sensitivity to light and sound. While triggers that cause migraines may vary among patients, evidence shows they are involved with the trigeminovascular system (a network of blood vessels in the brain in conjunction with the trigeminal nerve). Activation of the trigeminal neurons triggers the release of vasoactive neuropeptides, such as calcitonin gene-related peptide (CGRP), leading to neurogenic inflammation and vasodilation of cranial blood vessels. The development of 5-HT1B serotonin agonist drugs, commonly known as triptans, have been an effective measure of migraine relief. The drugs created in this research were found to have improved docking scores within the 5-HT1B binding site compared to that of naratriptan. The two drugs proposed in this paper would need to undergo further investigation to determine the feasibility of laboratory synthesis and clinical trials.

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Martin, N. L., Holmes, S. E., Siegel, J. B.. 2026-05-31. Computational Design of Two New 5-HT1B Serotonin Receptor Agonists Derived from Naratriptan. https://doi.org/10.64898/2026.05.27.728311

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