Demonstrating the Absence of Correlation Between Molecular Docking and in vitro Cytotoxicity in Anti-Breast Cancer Research: Root Causes and Practical Resolutions.

Breast Cancer (Dove Med Press) · 2025 · PMC12596839 · PMID 41216209

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a clear trendno p-value reported

The noscapinoid derivatives displayed a clear trend: as ΔG values became more negative, indicating stronger predicted binding affinity, the corresponding IC 50 values decreased, reflecting higher cytotoxic potency.

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