AIMC Topic: Protein Kinase Inhibitors

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Deep learning-driven drug response prediction and mechanistic insights in cancer genomics.

Scientific reports Jul 1, 2025
In the field of cancer therapy, the diversity and heterogeneity of cancer genomes in clinical patients complicate and challenge the effective use of non-targeted drugs, as these drugs often fail to address specific genetic events. Recent advancements...
Humans Animals Cell Proliferation Apoptosis Xenograft Model Antitumor Assays Piperidines Drug Resistance, Neoplasm Protein Kinase Inhibitors Adenine Cell Line, Tumor Mice Genomics Gene Expression Regulation, Neoplastic Neoplasms Antineoplastic Agents Deep Learning
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Artificial intelligence-driven label-free detection of chronic myeloid leukemia cells using ghost cytometry.

Scientific reports Jul 1, 2025
Early diagnosis and treatment initiation of chronic myeloid leukemia (CML) are considered to increase the rate of deep molecular response. However, the early diagnosis of CML is challenging due to the absence of clinical symptoms and peripheral blood...
Male Flow Cytometry Protein Kinase Inhibitors Humans Fusion Proteins, bcr-abl Artificial Intelligence Machine Learning Leukemia, Myelogenous, Chronic, BCR-ABL Positive Algorithms Female
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Integrative machine learning and molecular simulation approaches identify GSK3β inhibitors for neurodegenerative disease therapy.

Scientific reports Jul 1, 2025
Neurodegenerative diseases (NDDs), including Alzheimer's disease (AD) and Parkinson's disease (PD), are a growing global health concern, especially among the elderly, posing significant challenges to well-being and survival. GSK3β, a serine/threonine...
Neurodegenerative Diseases Humans Machine Learning Molecular Dynamics Simulation Molecular Docking Simulation Protein Kinase Inhibitors Glycogen Synthase Kinase 3 beta
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Histopathologic deep learning model for predicting tumor response to hepatic arterial infusion chemotherapy plus TKIs and ICIs in large hepatocellular carcinoma.

Cancer imaging : the official publication of the International Cancer Imaging Society Jun 6, 2025
BACKGROUND: While triplet therapy (HTI), which combines hepatic arterial infusion chemotherapy (HAIC) with tyrosine kinase inhibitors and immune checkpoint inhibitors, is widely used in the treatment of large hepatocellular carcinoma (HCC), there are...
Male Middle Aged Deep Learning Liver Neoplasms Carcinoma, Hepatocellular Immune Checkpoint Inhibitors Antineoplastic Combined Chemotherapy Protocols Protein Kinase Inhibitors Retrospective Studies Female Aged Adult Humans Infusions, Intra-Arterial
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Improving Covalent and Noncovalent Molecule Generation via Reinforcement Learning with Functional Fragments.

Journal of chemical information and modeling Jun 5, 2025
Small-molecule drugs play a critical role in cancer therapy by selectively targeting key signaling pathways that drive tumor growth. While deep learning models have advanced drug discovery, there remains a lack of generative frameworks for covalent ...
Drug Design Deep Learning Molecular Dynamics Simulation Ligands ErbB Receptors Protein Kinase Inhibitors Agammaglobulinaemia Tyrosine Kinase Small Molecule Libraries Humans Molecular Docking Simulation
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Neddylation status determines the therapeutic sensitivity of tyrosine kinase inhibitors in chronic myeloid leukemia.

Scientific reports May 30, 2025
BCR::ABL1-targeting tyrosine kinase inhibitors (TKIs) dominate the treatment of chronic myeloid leukemia (CML) over the past decades. In this study, we reported an unexpected role of neddylation inhibitors in desensitizing the therapeutic efficacy of...
Fusion Proteins, bcr-abl Leukemia, Myelogenous, Chronic, BCR-ABL Positive Tyrosine Kinase Inhibitors NEDD8 Protein Mice Humans Protein Processing, Post-Translational Animals Drug Resistance, Neoplasm Cell Line, Tumor Protein Kinase Inhibitors
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Efficacy and safety of first-line CDK4/6 inhibitors plus AI therapy for patients with HR +/HER2- advanced breast cancer: a network meta-analysis.

BMC cancer May 8, 2025
BACKGROUND: CDK4/6 inhibitors plus aromatase inhibitors (AI) significantly improve the therapeutic effect of initial treatment for HR + /HER2- advanced breast cancer. However, there is a lack of head-to-head randomized controlled trials involving the...
Cyclin-Dependent Kinase 6 Receptor, ErbB-2 Network Meta-Analysis as Topic Aromatase Inhibitors Aminopyridines Receptors, Estrogen Antineoplastic Combined Chemotherapy Protocols Humans Protein Kinase Inhibitors Purines Female Benzimidazoles Treatment Outcome Receptors, Progesterone Breast Neoplasms Randomized Controlled Trials as Topic Cyclin-Dependent Kinase 4 Progression-Free Survival
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Deep learning radiopathomics predicts targeted therapy sensitivity in EGFR-mutant lung adenocarcinoma.

Journal of translational medicine Apr 29, 2025
BACKGROUND: Ttyrosine kinase inhibitors (TKIs) represent the standard first-line treatment for patients with epidermal growth factor receptor (EGFR)-mutant lung adenocarcinoma. However, not all patients with EGFR mutations respond to TKIs. This study...
Humans Protein Kinase Inhibitors Retrospective Studies Adenocarcinoma of Lung Tomography, X-Ray Computed Lung Neoplasms Female Aged Mutation Molecular Targeted Therapy Male ErbB Receptors Middle Aged Deep Learning
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In-silico investigation integrated with machine learning to identify potential inhibitors targeting AKT2: Key driver of cancer cell progression and metastasis.

Computer methods and programs in biomedicine Apr 18, 2025
BACKGROUND AND OBJECTIVE: In search of a key driver for the invasive growth of cancer metastasis, AKT2 is found to be exceptionally expressed in colorectal cancer and its metastasis. Again, exceeding genomic arrangements of AKT2 can be held responsib...
Neoplasms Disease Progression Molecular Docking Simulation Antineoplastic Agents Humans Machine Learning Computer Simulation Pyrimidines Pyrroles Proto-Oncogene Proteins c-akt Molecular Dynamics Simulation Neoplasm Metastasis Protein Kinase Inhibitors
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Exploring 4 generation EGFR inhibitors: A review of clinical outcomes and structural binding insights.

European journal of pharmacology Apr 9, 2025
Epidermal growth factor receptor (EGFR) is a potential target for anticancer therapies and plays a crucial role in cell growth, survival, and metastasis. EGFR gene mutations trigger aberrant signaling, leading to non-small cell lung cancer (NSCLC). T...
ErbB Receptors Protein Kinase Inhibitors Carcinoma, Non-Small-Cell Lung Structure-Activity Relationship Mutation Humans Animals Antineoplastic Agents Lung Neoplasms
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