AIMC Topic: Glycogen Synthase Kinase 3 beta

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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...
Humans Machine Learning Molecular Dynamics Simulation Protein Kinase Inhibitors Glycogen Synthase Kinase 3 beta Molecular Docking Simulation Neurodegenerative Diseases
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Case-control study combined with machine learning techniques to identify key genetic variations in GSK3B that affect susceptibility to diabetic kidney diseases.

BMC endocrine disorders Jun 5, 2025
The role of genetic susceptibility in early warning and precise treatment of diabetic kidney disease (DKD) requires further investigation. A case-control study was conducted to evaluate the predictive effect of GSK3B genetic polymorphisms on the susc...
Machine Learning Prognosis Female Humans Genotype Glycogen Synthase Kinase 3 beta Case-Control Studies Diabetes Mellitus, Type 2 Genetic Predisposition to Disease Polymorphism, Single Nucleotide Diabetic Nephropathies Male Aged Middle Aged Adult
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Unveiling key drivers of hepatocellular carcinoma: a synergistic approach with network pharmacology, machine learning-driven ligand discovery and dynamic simulations.

SAR and QSAR in environmental research Jan 3, 2025
Hepatocellular carcinoma (HCC) ranks fourth in cancer-related mortality worldwide. This study aims to uncover the genes and pathways involved in HCC through network pharmacology (NP) and to discover potential drugs via machine learning (ML)-based lig...
Quantitative Structure-Activity Relationship Glycogen Synthase Kinase 3 beta Molecular Dynamics Simulation Ligands Network Pharmacology Drug Discovery Liver Neoplasms Carcinoma, Hepatocellular Proto-Oncogene Proteins c-akt Machine Learning Molecular Docking Simulation Humans
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Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy.

Journal of chemical theory and computation Jul 14, 2021
Computational capabilities are rapidly increasing, primarily because of the availability of GPU-based architectures. This creates unprecedented simulative possibilities for the systematic and robust computation of thermodynamic observables, including...
Bridged-Ring Compounds Imidazoles Glycogen Synthase Kinase 3 beta Molecular Dynamics Simulation Machine Learning Thermodynamics Ligands Protein Binding
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Platelet-rich plasma inhibits Wnt/β-catenin signaling in rabbit cartilage cells activated by IL-1β.

International immunopharmacology Dec 30, 2017
OBJECTIVE: Platelet-rich plasma (PRP) has been reported to alleviate degenerative pathological damage to joint cartilage. This study aimed to investigate the effect of PRP on Wnt/β-catenin signaling in rabbit chondrocytes.
Collagen Type II Cartilage Oligomeric Matrix Protein Knee Joint beta Catenin Rabbits Platelet-Rich Plasma Chondrocytes Cell Survival Wnt1 Protein Osteoarthritis Interleukin-1beta Cells, Cultured Animals Glycogen Synthase Kinase 3 beta Wnt Signaling Pathway
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PTML Modeling for Alzheimer's Disease: Design and Prediction of Virtual Multi-Target Inhibitors of GSK3B, HDAC1, and HDAC6.

Current topics in medicinal chemistry Jan 1, 2020
BACKGROUND: Alzheimer's disease is characterized by a progressive pattern of cognitive and functional impairment, which ultimately leads to death. Computational approaches have played an important role in the context of drug discovery for anti-Alzhei...
Alzheimer Disease Protein Kinase Inhibitors Glycogen Synthase Kinase 3 beta Histone Deacetylase Inhibitors Models, Molecular Molecular Structure Machine Learning Humans Drug Design Histone Deacetylase 1 Neural Networks, Computer Histone Deacetylase 6
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