ArticleJournal of computational chemistry2026
Mapping Trofinetide Polypharmacology in Rett Syndrome: A Multi-Stage Computational Analysis.
Article in Journal of computational chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Authors and funding
3 authors.
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Abstract
Rett syndrome (RTT) is a severe neurodevelopmental disorder caused by mutations in the MECP2 gene. Although trofinetide is the first FDA-approved drug for RTT, its pharmacological mechanism remains unclear. We present a structure-based in silico workflow that integrates target prediction, molecular docking, and 100 ns molecular dynamics (MD) simulations to prioritize potential RTT-relevant targets. Candidate receptors were ranked using a comparative pleiotropic score (P
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.