AIMC Topic: Protein Serine-Threonine Kinases

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Naturally occurring caffeic acid phenethyl ester from chestnut honey-based propolis and virtual screening towards DYRK1A.

Natural product research Feb 1, 2024
Neurodegenerative diseases (NDDs) are disorders with dysfunction and ongoing loss of neurons, glial cells and the neural networks in the brain and spinal cord. DYRK1A protein was reported to modulate to the cytoskeletal fraction in human and mouse br...
Humans Animals Molecular Docking Simulation Mice Tandem Mass Spectrometry Honey Caffeic Acids Dyrk Kinases Phenylethyl Alcohol Protein-Tyrosine Kinases Protein Serine-Threonine Kinases Propolis Molecular Structure Chromatography, High Pressure Liquid
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Mechanism of baricitinib supports artificial intelligence-predicted testing in COVID-19 patients.

EMBO molecular medicine Jun 24, 2020
Baricitinib is an oral Janus kinase (JAK)1/JAK2 inhibitor approved for the treatment of rheumatoid arthritis (RA) that was independently predicted, using artificial intelligence (AI) algorithms, to be useful for COVID-19 infection via proposed anti-c...
Spheroids, Cellular Intracellular Signaling Peptides and Proteins Betacoronavirus Pneumonia, Viral Azetidines Coronavirus Infections COVID-19 Drug Treatment Pyrazoles Protein Kinase Inhibitors Purines Drug Repositioning Leukocytes Sulfonamides Drug Evaluation, Preclinical Cytokines Female SARS-CoV-2 Aged Adult Male Middle Aged Antiviral Agents Liver Protein Serine-Threonine Kinases Humans Artificial Intelligence Pandemics COVID-19
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Deep learning of spontaneous arousal fluctuations detects early cholinergic defects across neurodevelopmental mouse models and patients.

Proceedings of the National Academy of Sciences of the United States of America Jul 22, 2019
Neurodevelopmental spectrum disorders like autism (ASD) are diagnosed, on average, beyond age 4 y, after multiple critical periods of brain development close and behavioral intervention becomes less effective. This raises the urgent need for quantita...
Humans Female Animals Male Deep Learning Cohort Studies Mice Disease Models, Animal Protein Serine-Threonine Kinases Rett Syndrome Acetylcholine Autistic Disorder Pupil Arousal Methyl-CpG-Binding Protein 2
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Identification of lead anti-human cytomegalovirus compounds targeting MAP4K4 via machine learning analysis of kinase inhibitor screening data.

PloS one Jul 26, 2018
Chemogenomic approaches involving highly annotated compound sets and cell based high throughput screening are emerging as a means to identify novel drug targets. We have previously screened a collection of highly characterized kinase inhibitors (Khan...
Humans Intracellular Signaling Peptides and Proteins Machine Learning Cytomegalovirus Cytomegalovirus Infections Drug Discovery RNA, Small Interfering Antiviral Agents Virus Replication Cell Line Protein Kinase Inhibitors Protein Serine-Threonine Kinases
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Targeted bisulfite sequencing identified a panel of DNA methylation-based biomarkers for esophageal squamous cell carcinoma (ESCC).

Clinical epigenetics Dec 15, 2017
BACKGROUND: DNA methylation has been implicated as a promising biomarker for precise cancer diagnosis. However, limited DNA methylation-based biomarkers have been described in esophageal squamous cell carcinoma (ESCC).
Serine-Threonine Kinase 3 Aged Logistic Models Early Detection of Cancer Promoter Regions, Genetic Sensitivity and Specificity Protein Serine-Threonine Kinases Epigenesis, Genetic Esophageal Squamous Cell Carcinoma Biomarkers, Tumor DNA-Binding Proteins Humans Databases, Genetic Pseudogenes Male Esophageal Neoplasms Machine Learning Repressor Proteins Middle Aged Sequence Analysis, DNA CpG Islands Female DNA Methylation Carcinoma, Squamous Cell
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Computer-aided drug discovery of a dual-target inhibitor for ovarian cancer: therapeutic intervention targeting CDK1/TTK signaling pathway and structural insights in the NCI-60.

Computers in biology and medicine Jul 1, 2025
Ovarian cancer remains the third most prevalent and deadliest gynecologic malignancy worldwide, with most patients eventually developing resistance to platinum-based chemotherapy. This highlights a critical unmet need for innovative multitargeted the...
CDC2 Protein Kinase Humans Protein-Tyrosine Kinases Female Protein Serine-Threonine Kinases Drug Discovery Ovarian Neoplasms Antineoplastic Agents Protein Kinase Inhibitors Cell Line, Tumor Cell Cycle Proteins Signal Transduction
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Identification of therapeutics against PfPK6 protein of Plasmodium falciparum: Structure and Deep Learning approach.

Experimental parasitology Jun 1, 2025
The Plasmodium falciparum Protein Kinase 6 (PfPK6) is a serine/threonine protein kinase categorized under the CMGC group, displaying both cyclin-dependent kinases (CDKs) and mitogen-activated protein kinases (MAPKs) activity. Previous research has in...
Molecular Dynamics Simulation Antimalarials Protozoan Proteins Protein Kinase Inhibitors Humans Molecular Docking Simulation Deep Learning Protein Serine-Threonine Kinases Plasmodium falciparum
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AI-Driven Design and Development of Nontoxic DYRK1A Inhibitors.

Journal of medicinal chemistry May 22, 2025
Dual-specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A) is implicated in several human diseases, including DYRK1A syndrome, cancer, and neurodegenerative disorders such as Alzheimer's disease, making it a relevant therapeutic target. I...
Humans Neural Networks, Computer Artificial Intelligence Molecular Docking Simulation Quantitative Structure-Activity Relationship Protein Kinase Inhibitors Dyrk Kinases Drug Design Antioxidants Protein-Tyrosine Kinases Protein Serine-Threonine Kinases Anti-Inflammatory Agents
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Discovery of hematopoietic progenitor kinase 1 inhibitors using machine learning-based screening and free energy perturbation.

Journal of biomolecular structure & dynamics May 1, 2025
Hematopoietic progenitor kinase 1 (HPK1) is a key negative regulator of T-cell receptor (TCR) signaling and a promising target for cancer immunotherapy. The development of novel HPK1 inhibitors is challenging yet promising. In this study, we used a c...
Molecular Docking Simulation Drug Discovery Protein Binding Signal Transduction Protein Serine-Threonine Kinases Humans Machine Learning T-Lymphocytes Structure-Activity Relationship Molecular Dynamics Simulation Protein Kinase Inhibitors Thermodynamics
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Machine learning for phytopathology: from the molecular scale towards the network scale.

Briefings in bioinformatics Sep 2, 2021
With the increasing volume of high-throughput sequencing data from a variety of omics techniques in the field of plant-pathogen interactions, sorting, retrieving, processing and visualizing biological information have become a great challenge. Within...
Host-Pathogen Interactions Viral Proteins Protein Interaction Mapping Disease Resistance Pathogen-Associated Molecular Pattern Molecules Plants Plant Diseases Gene Expression Regulation Fungal Proteins Support Vector Machine Protein Serine-Threonine Kinases Bayes Theorem Bacterial Proteins Plant Pathology NLR Proteins Receptors, Pattern Recognition
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