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Tc-43/THRB_Agonist_Designs_1R6G

THRβ Agonist Designs — 1R6G (GA-II) Why this target matters. Thyroid hormone drives lipid clearance and hepatic fat oxidation, but thyroid hormone itself is unusable as a drug because THRα engagement causes tachycardia, arrhythmia and bone loss. Resmetirom's 2024 approval for MASH proved that a β-selective thyromimetic can separate the metabolic benefit from the cardiac liability — and made β-over-α selectivity the whole game for this target. 188 small molecules generated de… See the full description on the dataset page: https://huggingface.co/datasets/Tc-43/THRB_Agonist_Designs_1R6G.

Author / organizationTc-43
License (as declared)cc-by-4.0
Downloads134 (as reported by Hugging Face)
Likes0
Created17 September 2026
Last updated at source17 September 2026
chemistrybiologydrug-discoverymolecular-dockingprotein-ligand-complexpocket-conditionedpocket-conditioned-generationde-novo-designde-novo-drug-designgenerative-designgenerative-aiai-generatedstructure-based-drug-designcomputational-chemistrycheminformaticsSMILESSDFTHRBthyroid-hormone-receptornuclear-receptorthyromimeticMASHNASHmetabolic-disease
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