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Protein Kinase Inhibitors

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Pharmacokinetic and safety profile of tofacitinib in children with polyarticular course juvenile idiopathic arthritis: results of a phase 1, open-label, multicenter study.

Pediatric rheumatology online journal Dec 28, 2017
BACKGROUND: Juvenile idiopathic arthritis (JIA) is the most common pediatric rheumatic disease and a leading cause of childhood disability. The objective of this study was to characterize the PK, safety, and taste acceptability of tofacitinib in pati...
Taste Pyrimidines Humans Arthritis, Juvenile Pyrroles Child, Preschool Piperidines Female Male Child Protein Kinase Inhibitors Adolescent Treatment Outcome Administration, Oral
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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) ...
Ligands Inhibitory Concentration 50 Humans Datasets as Topic Molecular Docking Simulation Protein Kinase Inhibitors Drug Design Antineoplastic Agents ROC Curve Databases, Protein Supervised Machine Learning Thermodynamics Cyclin-Dependent Kinase 2
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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 Induced Pluripotent Stem Cells Humans Myocytes, Cardiac Neural Networks, Computer Tissue Engineering Cell Survival Protein Kinase Inhibitors
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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 ...
Machine Learning Software Drug Discovery Absorption, Radiation Ultraviolet Rays Inhibitory Concentration 50 Serine Proteinase Inhibitors Protein Kinase Inhibitors
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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...
Quinazolines Antineoplastic Agents Smoking Lung Neoplasms ErbB Receptors Antineoplastic Combined Chemotherapy Protocols Protein Kinase Inhibitors Humans Adenocarcinoma Gefitinib Female Aged Asian People Carcinoma, Non-Small-Cell Lung Aged, 80 and over Carboplatin Randomized Controlled Trials as Topic Male Paclitaxel Neoplasm Staging Middle Aged Disease-Free Survival Mutation
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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...
Imatinib Mesylate Protein Kinase Inhibitors Kidney Tubules Leukemia, Myelogenous, Chronic, BCR-ABL Positive Glomerular Filtration Rate Kidney Function Tests Creatinine Drug Substitution Female Aged Young Adult Adult Antineoplastic Agents Case-Control Studies Humans Male Treatment Outcome Retrospective Studies Middle Aged
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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...
Signal Transduction Cell Movement Neoplasm Invasiveness Dose-Response Relationship, Drug Antineoplastic Agents, Phytogenic Phosphorylation Proto-Oncogene Proteins c-akt Bile Duct Neoplasms Phosphatidylinositol 3-Kinase Phosphoinositide-3 Kinase Inhibitors Disulfides Allyl Compounds Protein Kinase Inhibitors Cholangiocarcinoma Humans Cell Line, Tumor Cell Proliferation
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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...
Algorithms Protein Binding Support Vector Machine Decision Trees Machine Learning Chromosomes Cyclin-Dependent Kinases Models, Molecular Bayes Theorem Protein Conformation Protein Kinase Inhibitors
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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...
Receptors, Dopamine D2 Mitogen-Activated Protein Kinase 14 Receptor, Cannabinoid, CB2 Humans Software Algorithms Support Vector Machine Drug Evaluation, Preclinical Ligands Linear Models Protein Kinase Inhibitors
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Increase Docking Score Screening Power by Simple Fusion With CNNscore.

Journal of computational chemistry Mar 5, 2025
Scoring functions (SFs) of molecular docking is a vital component of structure-based virtual screening (SBVS). Traditional SFs yield their inherent shortage for idealized approximations and simplifications predicting the binding affinity. Complementa...
Molecular Docking Simulation Deep Learning Drug Evaluation, Preclinical Ligands Protein Kinase Inhibitors Humans Neural Networks, Computer
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