AIMC Topic: Protein Kinase Inhibitors

Clear Filters Showing 141 to 150 of 169 articles

Supervised machine learning techniques to predict binding affinity. A study for cyclin-dependent kinase 2.

Biochemical and biophysical research communications Oct 7, 2017
Here we report the development of a machine-learning model to predict binding affinity based on the crystallographic structures of protein-ligand complexes. We used an ensemble of crystallographic structures (resolution better than 1.5 Å resolution) ...
Antineoplastic Agents Ligands ROC Curve Humans Inhibitory Concentration 50 Databases, Protein Molecular Docking Simulation Supervised Machine Learning Thermodynamics Datasets as Topic Drug Design Cyclin-Dependent Kinase 2 Protein Kinase Inhibitors
View on PubMed DOI

Kinase inhibitor screening using artificial neural networks and engineered cardiac biowires.

Scientific reports Sep 18, 2017
Kinase inhibitors are often used as cancer targeting agents for their ability to prevent the activation of cell growth and proliferation signals. Cardiotoxic effects have been identified for some marketed kinase inhibitors that were not detected duri...
Myocardium Myocytes, Cardiac Tissue Engineering Protein Kinase Inhibitors Humans Neural Networks, Computer Cell Survival Induced Pluripotent Stem Cells
View on PubMed DOI

Is Multitask Deep Learning Practical for Pharma?

Journal of chemical information and modeling Aug 1, 2017
Multitask deep learning has emerged as a powerful tool for computational drug discovery. However, despite a number of preliminary studies, multitask deep networks have yet to be widely deployed in the pharmaceutical and biotech industries. This lack ...
Ultraviolet Rays Inhibitory Concentration 50 Serine Proteinase Inhibitors Protein Kinase Inhibitors Machine Learning Software Drug Discovery Absorption, Radiation
View on PubMed DOI

Efficacy according to blind independent central review: Post-hoc analyses from the phase III, randomized, multicenter, IPASS study of first-line gefitinib versus carboplatin/paclitaxel in Asian patients with EGFR mutation-positive advanced NSCLC.

Lung cancer (Amsterdam, Netherlands) Nov 30, 2016
OBJECTIVE: The Phase III, randomized, open-label IPASS study (NCT00322452) of first-line epidermal growth factor receptor tyrosine kinase inhibitor (EGFR TKI) gefitinib versus carboplatin/paclitaxel for Asian patients with advanced non-small-cell lun...
Protein Kinase Inhibitors Male Gefitinib Humans Antineoplastic Combined Chemotherapy Protocols Middle Aged Female Neoplasm Staging Quinazolines Adenocarcinoma Aged Antineoplastic Agents Paclitaxel Mutation Aged, 80 and over Lung Neoplasms Carcinoma, Non-Small-Cell Lung Disease-Free Survival Asian People Randomized Controlled Trials as Topic Smoking Carboplatin ErbB Receptors
View on PubMed DOI

Imatinib Increases Serum Creatinine by Inhibiting Its Tubular Secretion in a Reversible Fashion in Chronic Myeloid Leukemia.

Clinical lymphoma, myeloma & leukemia Dec 20, 2015
BACKGROUND: Monitoring renal function is important in imatinib-treated patients with chronic myeloid leukemia because serum creatinine may increase during the course of therapy. The mechanism of this increase and its reversibility on treatment cessat...
Humans Protein Kinase Inhibitors Kidney Function Tests Antineoplastic Agents Retrospective Studies Creatinine Kidney Tubules Female Case-Control Studies Drug Substitution Leukemia, Myelogenous, Chronic, BCR-ABL Positive Aged Treatment Outcome Imatinib Mesylate Young Adult Glomerular Filtration Rate Adult Male Middle Aged
View on PubMed DOI

Modulatory role of garlicin in migration and invasion of intrahepatic cholangiocarcinoma via PI3K/AKT pathway.

International journal of clinical and experimental pathology Nov 1, 2015
Increasing evidences have indicated the role of garlicin in inhibiting the progression of various tumors including glioma, pulmonary carcinoma and pancreatic carcinoma, via mediating cell apoptosis or cell cycle. The regulatory effect and related mol...
Protein Kinase Inhibitors Cholangiocarcinoma Phosphatidylinositol 3-Kinase Humans Phosphoinositide-3 Kinase Inhibitors Neoplasm Invasiveness Dose-Response Relationship, Drug Proto-Oncogene Proteins c-akt Antineoplastic Agents, Phytogenic Cell Line, Tumor Bile Duct Neoplasms Phosphorylation Cell Proliferation Disulfides Allyl Compounds Signal Transduction Cell Movement
View on PubMed

Binding Activity Prediction of Cyclin-Dependent Inhibitors.

Journal of chemical information and modeling Jul 10, 2015
The Cyclin-Dependent Kinases (CDKs) are the core components coordinating eukaryotic cell division cycle. Generally the crystal structure of CDKs provides information on possible molecular mechanisms of ligand binding. However, reliable and robust est...
Cyclin-Dependent Kinases Protein Binding Support Vector Machine Decision Trees Models, Molecular Bayes Theorem Protein Conformation Protein Kinase Inhibitors Chromosomes Machine Learning Algorithms
View on PubMed DOI

Visualization and Interpretation of Support Vector Machine Activity Predictions.

Journal of chemical information and modeling Jun 2, 2015
Support vector machines (SVMs) are among the preferred machine learning algorithms for virtual compound screening and activity prediction because of their frequently observed high performance levels. However, a well-known conundrum of SVMs (and other...
Mitogen-Activated Protein Kinase 14 Receptor, Cannabinoid, CB2 Ligands Humans Linear Models Software Protein Kinase Inhibitors Algorithms Receptors, Dopamine D2 Support Vector Machine Drug Evaluation, Preclinical
View on PubMed DOI

Subtyping-Directed Precision Treatment Refines Traditional One-Size-Fits-All Therapy for HR+/HER2- Breast Cancer.

Cancer research Oct 15, 2025
UNLABELLED: The standard approach of using one-size-fits-all endocrine therapy for hormone receptor (HR)-positive and human epidermal growth factor receptor 2 (HER2)-negative breast cancers has faced significant challenges because of variations in tr...
Humans Receptor, ErbB-2 Protein Kinase Inhibitors Receptors, Estrogen Receptors, Progesterone Precision Medicine Female Breast Neoplasms Biomarkers, Tumor
View on PubMed DOI

Enhancing PI3Kγ inhibitor discovery: a machine learning-based virtual screening approach integrating pharmacophores, docking, and molecular descriptors.

Molecular diversity Aug 1, 2025
PI3Kγ is a lipid kinase that is expressed primarily in leukocytes and plays a significant role in tumors, inflammation, and autoimmune diseases. Consequently, considerable attention has been given to the development of pharmacological inhibitors of P...
Protein Kinase Inhibitors Phosphoinositide-3 Kinase Inhibitors Class Ib Phosphatidylinositol 3-Kinase Molecular Docking Simulation Drug Discovery Bayes Theorem Drug Evaluation, Preclinical Humans Machine Learning
View on PubMed DOI
Popular Topics
Recent Journals