AIMC Topic: Focal Adhesion Protein-Tyrosine Kinases

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Discovery and characterization of novel FAK inhibitors for breast cancer therapy via hybrid virtual screening, biological evaluation and molecular dynamics simulations.

Bioorganic chemistry Mar 26, 2025
Focal adhesion kinase (FAK) is a critical drug target implicated in various disease pathways, including hematological malignancies and breast cancer. Therefore, identifying FAK inhibitors with novel scaffolds could offer new opportunities for develop...
Humans Female Breast Neoplasms Molecular Docking Simulation Drug Discovery Antineoplastic Agents Cell Proliferation Dose-Response Relationship, Drug Drug Screening Assays, Antitumor Structure-Activity Relationship Molecular Structure Molecular Dynamics Simulation Drug Evaluation, Preclinical Protein Kinase Inhibitors Focal Adhesion Kinase 1 Focal Adhesion Protein-Tyrosine Kinases
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In silico discovery of novel compounds for FAK activation using virtual screening, AI-based prediction, and molecular dynamics.

Computational biology and chemistry Mar 25, 2025
Focal Adhesion Kinase (FAK) is a non-receptor tyrosine kinase that plays a crucial role in cell proliferation, migration, and signal transduction. FAK is overexpressed in metastatic and advanced-stage cancers, where it is considered a key kinase in c...
Humans Artificial Intelligence Molecular Docking Simulation Drug Discovery Molecular Structure Molecular Dynamics Simulation Drug Evaluation, Preclinical Protein Kinase Inhibitors Focal Adhesion Protein-Tyrosine Kinases
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