ArticleACS omega2026
Discovery of Novel AURKA Inhibitors for Triple-Negative Breast Cancer (TNBC) Therapy via a Hybrid Virtual Screening Pipeline, Biological Evaluation and Molecular Dynamics Simulation.
Article in ACS omega, 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.
The trial behind it
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Aurora kinase A (AURKA) is a pivotal driver of malignant progression and poor prognosis in triple-negative breast cancer (TNBC). In this study, we developed a cascaded AI-driven virtual screening pipeline, integrating sequence-based affinity prediction (PSICHIC), equivariant deep learning docking (KarmaDock), and geometric rescoring (DeepDock) to identify novel AURKA inhibitor candidates. From an in-house 160,000-compound screening library assembled from commercially available collections, three leads (compounds
Identifiers
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Registered trials
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.