ArticleScientific reports2026
Investigation of Acoramidis-based ionic liquids as potential stabilizers of transthyretin using DFT calculations, molecular docking, and ADMET studies.
Article in Scientific reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Transthyretin amyloidosis (ATTR) is a type of amyloidosis that characterize by abnormal deposition of the transthyretin protein in various organs. Acoramidis drug is considered a promising treatment for patients with ATTR. However, oral delivery of the insoluble Acoramidis is challenging due to its poor bioavailability and low solubility. In the present study, three Acoramidis-based ionic liquids (ILs) are reported to address this challenge. The biological activity and reactivity of these compounds evaluated using computational chemistry methods, including molecular DFT calculations, molecular docking and ADMET (Chemical absorption, distribution, metabolism, excretion, and toxicity) analysis. The solubility of the ILs is compared based on their polarity. The results showed that all ILs were more polar than the original Acoramidis. The highest dipole moment and solubility in water belonged to Acoradidis-CF
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