Fig. 9: Molecular docking analysis of ECM subtype-selective drugs with ECM key signature. | npj Precision Oncology

Fig. 9: Molecular docking analysis of ECM subtype-selective drugs with ECM key signature.

From: ECM-based molecular subtypes define prognostic, EMT status, and therapeutic diversity in IDH-mutant gliomas

Fig. 9: Molecular docking analysis of ECM subtype-selective drugs with ECM key signature.

a Venn diagram depicting the overlap of top-ranked drugs (IC50, P < 0.05) across four glioma datasets (CGGA693, CGGA325, TCGA, and GLASS). ECM1 subtype showed 94 drug candidates (e.g., Vinblastine and Docetaxel), while ECM2 identified 12 drugs (e.g., Erlotinib and Fedratinib). b Three-dimensional structures of selected drugs: Vinblastine (left-top), Docetaxel (right-top), Erlotinib (left-bottom), and Fedratinib (right-bottom). c–j Binding conformations of Vinblastine (c–f) and Docetaxel (g–j) with ECM clinically relevant key signatures.

Back to article page