AIMC Topic: Receptors, G-Protein-Coupled

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Classification of G-protein coupled receptors based on a rich generation of convolutional neural network, N-gram transformation and multiple sequence alignments.

Amino acids Nov 18, 2017
Sequence classification is crucial in predicting the function of newly discovered sequences. In recent years, the prediction of the incremental large-scale and diversity of sequences has heavily relied on the involvement of machine-learning algorithm...
Receptors, G-Protein-Coupled Amino Acid Sequence Sequence Alignment Sequence Analysis, Protein Reproducibility of Results Models, Theoretical Databases, Protein Neural Networks, Computer Machine Learning Algorithms
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SELF-BLM: Prediction of drug-target interactions via self-training SVM.

PloS one Feb 13, 2017
Predicting drug-target interactions is important for the development of novel drugs and the repositioning of drugs. To predict such interactions, there are a number of methods based on drug and target protein similarity. Although these methods, such ...
Models, Theoretical Support Vector Machine Proteins Pharmaceutical Preparations Molecular Targeted Therapy Algorithms Receptors, G-Protein-Coupled Humans Protein Binding Reproducibility of Results Internet Computational Biology
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GGIP: Structure and sequence-based GPCR-GPCR interaction pair predictor.

Proteins Jun 8, 2016
G Protein-Coupled Receptors (GPCRs) are important pharmaceutical targets. More than 30% of currently marketed pharmaceutical medicines target GPCRs. Numerous studies have reported that GPCRs function not only as monomers but also as homo- or hetero-d...
Databases, Protein Receptors, G-Protein-Coupled Area Under Curve Binding Sites Protein Structure, Secondary Models, Molecular Amino Acid Sequence ROC Curve Protein Binding Mice Humans Support Vector Machine Animals Protein Multimerization Protein Interaction Domains and Motifs
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Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations.

Journal of chemical information and modeling Apr 14, 2016
Molecular recognition is a crucial issue when aiming to interpret the mechanism of known active substances as well as to develop novel active candidates. Unfortunately, simulating the binding process is still a challenging task because it requires cl...
Protein Conformation Molecular Dynamics Simulation Supervised Machine Learning Ligands Cell Membrane Protein Binding Receptors, G-Protein-Coupled
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G-Protein-Coupled Receptor 35 Mediates Human Saphenous Vein Vascular Smooth Muscle Cell Migration and Endothelial Cell Proliferation.

Journal of vascular research Apr 12, 2016
Vascular smooth muscle cell (VSMC) migration and proliferation is central to neointima formation in vein graft failure following coronary artery bypass. However, there are currently no pharmacological interventions that prevent vein graft failure thr...
Actin Cytoskeleton Aminosalicylic Acids Signal Transduction Naphthols Saphenous Vein Receptors, G-Protein-Coupled Cell Movement Purinones Humans rho-Associated Kinases HEK293 Cells Dose-Response Relationship, Drug Hydrazones rhoA GTP-Binding Protein Muscle, Smooth, Vascular Time Factors Myocytes, Smooth Muscle Thiourea Thiazolidines Endothelial Cells Cell Proliferation
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Virtual screening of umami peptides during sufu ripening based on machine learning and molecular docking to umami receptor T1R1/T1R3.

Food chemistry Sep 15, 2025
Umami peptides might significantly contribute to the taste of sufu. However, the inefficiencies of traditional identification methods had great limitations. This study explored a new approach for umami peptides characterization in sufu. Combining pep...
Glycine max Soy Foods Machine Learning Peptides Molecular Docking Simulation Taste Flavoring Agents Receptors, G-Protein-Coupled Amino Acid Sequence Humans
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Spatiotemporal calcium signaling patterns underlying opposing effects of histamine and TAS2R agonists in airway smooth muscle.

American journal of physiology. Lung cellular and molecular physiology Jul 1, 2025
Intracellular calcium (Ca) release via phospholipase C (PLC) following G-protein-coupled receptor (GPCR) activation is typically linked to membrane depolarization and airway smooth muscle (ASM) contraction. However, recent findings show that bitter t...
Animals Receptors, G-Protein-Coupled Calcium Myocytes, Smooth Muscle Humans Chloroquine Taste Receptors, Type 2 Histamine Flufenamic Acid Respiratory System Calcium Signaling Muscle, Smooth
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EnGCI: enhancing GPCR-compound interaction prediction via large molecular models and KAN network.

BMC biology May 15, 2025
BACKGROUND: Identifying GPCR-compound interactions (GCI) plays a significant role in drug discovery and chemogenomics. Machine learning, particularly deep learning, has become increasingly influential in this domain. Large molecular models, due to th...
Deep Learning Neural Networks, Computer Receptors, G-Protein-Coupled Models, Molecular Machine Learning Drug Discovery
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Deep learning in GPCR drug discovery: benchmarking the path to accurate peptide binding.

Briefings in bioinformatics Mar 4, 2025
Deep learning (DL) methods have drastically advanced structure-based drug discovery by directly predicting protein structures from sequences. Recently, these methods have become increasingly accurate in predicting complexes formed by multiple protein...
Humans Protein Binding Receptors, G-Protein-Coupled Benchmarking Ligands Peptides Drug Discovery Deep Learning
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Leveraging Artificial Intelligence in GPCR Activation Studies: Computational Prediction Methods as Key Drivers of Knowledge.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2025
G protein-coupled receptors (GPCRs) are key molecules involved in cellular signaling and are attractive targets for pharmacological intervention. This chapter is designed to explore the range of algorithms used to predict GPCRs' activation states, wh...
Receptors, G-Protein-Coupled Molecular Dynamics Simulation Ligands Computational Biology Signal Transduction Databases, Protein Artificial Intelligence Algorithms Humans
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