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Cheminformatics analysis, machine learning-based QSAR model building and virtual screening: identification of dual ROCK1 and TGFBR1 inhibitors for the treatment of cancer metastasis

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Rho-associated coiled-coil kinase 1 (ROCK1) and Transforming Growth Factor Beta Receptor 1 (TGFBR1) are pivotal mediators of epithelial-mesenchymal transition (EMT), cytoskeleton remodeling, cell adhesion, and cancer metastasis. Their simultaneous inhibition o... ...