src-Family Kinases

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Interpretable Machine Learning Models for Molecular Design of Tyrosine Kinase Inhibitors Using Variational Autoencoders and Perturbation-Based Approach of Chemical Space Exploration.

International journal of molecular sciences 36232566

In the current study, we introduce an integrative machine learning strategy for the autonomous molecular design of protein kinase inhibitors using variational autoencoders and a novel cluster-based perturbation approach for exploration of the chemica...

Machine Learning Molecular Structure Protein Kinase Inhibitors Space Flight src-Family Kinases

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Using machine learning to dissect host kinases required for Leishmania internalization and development.

Molecular and biochemical parasitology 39181505

The Leishmania life cycle alternates between promastigotes, found in the sandfly, and amastigotes, found in mammals. When an infected sandfly bites a host, promastigotes are engulfed by phagocytes (i.e., neutrophils, dendritic cells, and macrophages)...

Animals Host-Parasite Interactions Humans Leishmania Leishmania mexicana Leishmaniasis Machine Learning Macrophages Mice Phagocytosis Protein Kinase Inhibitors Protein-Tyrosine Kinases Proto-Oncogene Proteins c-abl Receptors, IgG src-Family Kinases

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Integrating machine learning and structure-based approaches for repurposing potent tyrosine protein kinase Src inhibitors to treat inflammatory disorders.

Scientific reports 39805859

Tyrosine-protein kinase Src plays a key role in cell proliferation and growth under favorable conditions, but its overexpression and genetic mutations can lead to the progression of various inflammatory diseases. Due to the specificity and selectivit...

Drug Repositioning Humans Inflammation Machine Learning Molecular Docking Simulation Molecular Dynamics Simulation Protein Kinase Inhibitors src-Family Kinases Support Vector Machine

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src-Family Kinases

Interpretable Machine Learning Models for Molecular Design of Tyrosine Kinase Inhibitors Using Variational Autoencoders and Perturbation-Based Approach of Chemical Space Exploration.

Using machine learning to dissect host kinases required for Leishmania internalization and development.

Integrating machine learning and structure-based approaches for repurposing potent tyrosine protein kinase Src inhibitors to treat inflammatory disorders.

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