AIMC Topic: Focal Adhesion Kinase 1

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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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A machine learning pipeline revealing heterogeneous responses to drug perturbations on vascular smooth muscle cell spheroid morphology and formation.

Scientific reports Dec 2, 2021
Machine learning approaches have shown great promise in biology and medicine discovering hidden information to further understand complex biological and pathological processes. In this study, we developed a deep learning-based machine learning algori...
Humans Machine Learning Cells, Cultured Atherosclerosis Muscle, Smooth, Vascular Spheroids, Cellular Vascular System Injuries cdc42 GTP-Binding Protein Focal Adhesion Kinase 1 Neointima rac GTP-Binding Proteins
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