AIMC Topic: Receptors, Cytoplasmic and Nuclear

Clear Filters Showing 1 to 10 of 22 articles

DeepTargetClass: a web-based platform for predicting protein target classes of small molecules.

Journal of computer-aided molecular design Dec 3, 2025
The identification of protein target classes is a key step in drug discovery, as it enables prioritization of screening campaigns and supports target-based drug repurpose. In this study, we developed a deep-learning pipeline based on a multilayer per...
Humans Drug Discovery Deep Learning Ligands Receptors, Cytoplasmic and Nuclear Small Molecule Libraries Proteins Receptors, G-Protein-Coupled Internet
View on PubMed DOI

Nuclear receptors in metabolic, inflammatory, and oncologic diseases: mechanisms, therapeutic advances, and future directions.

European journal of medical research Sep 9, 2025
Nuclear receptors (NRs) are a superfamily of ligand-activated transcription factors that regulate gene expression in response to metabolic, hormonal, and environmental signals. These receptors play a critical role in metabolic homeostasis, inflammati...
Inflammation Metabolic Diseases Receptors, Cytoplasmic and Nuclear Humans Animals Neoplasms
View on PubMed DOI

Nondisruptive inducible labeling of ER-membrane contact sites using the Lamin B receptor.

PLoS biology Jul 10, 2025
Membrane contact sites (MCSs) are areas of close proximity between organelles that allow the exchange of material, among other roles. The endoplasmic reticulum (ER) has MCSs with a variety of organelles in the cell. MCSs are dynamic, responding to ch...
Lysosomes HeLa Cells Cell Membrane Humans Staining and Labeling Endoplasmic Reticulum Lamin B Receptor Intracellular Membranes Receptors, Cytoplasmic and Nuclear Mitosis Golgi Apparatus
View on PubMed DOI

From Nuclear Receptors to GPCRs: a Deep Transfer Learning Approach for Enhanced Environmental Estrogen Recognition.

Environmental science & technology Apr 30, 2025
Environmental estrogens (EEs), as typical endocrine-disrupting chemicals (EDCs), can bind to classic estrogen receptors (ERs) to induce genomic effects, as well as to G protein-coupled estrogen receptor (GPER) located on the membrane, thereby inducin...
Receptors, Cytoplasmic and Nuclear Deep Learning Estrogens Receptors, G-Protein-Coupled Ligands Endocrine Disruptors Receptors, Estrogen Humans
View on PubMed DOI

Integrating deep learning and molecular dynamics simulations for FXR antagonist discovery.

Molecular diversity Apr 2, 2025
Farnesoid X receptor (FXR) is a key regulator of bile acid, lipid, and glucose homeostasis, making it a promising target for treating metabolic diseases. FXR antagonists have shown therapeutic potential in cholestasis, metabolic disorders, and certai...
Deep Learning Hydrophobic and Hydrophilic Interactions Protein Binding Receptors, Cytoplasmic and Nuclear Molecular Dynamics Simulation Humans Thermodynamics Drug Discovery
View on PubMed DOI

Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning.

Journal of chemical information and modeling Aug 30, 2022
The mechanism of transcriptional activation/repression of the nuclear receptors (NRs) involves two main conformations of the NR protein, namely, the active (agonistic) and inactive (antagonistic) conformations. Binding of agonists or antagonists to t...
Receptors, Cytoplasmic and Nuclear Binding Sites Machine Learning Ligands
View on PubMed DOI

Prediction Models for Agonists and Antagonists of Molecular Initiation Events for Toxicity Pathways Using an Improved Deep-Learning-Based Quantitative Structure-Activity Relationship System.

International journal of molecular sciences Oct 6, 2021
In silico approaches have been studied intensively to assess the toxicological risk of various chemical compounds as alternatives to traditional in vivo animal tests. Among these approaches, quantitative structure-activity relationship (QSAR) analysi...
Deep Learning Models, Statistical Pharmaceutical Preparations Humans Quantitative Structure-Activity Relationship Algorithms Toxicity Tests Computer Simulation Receptors, Cytoplasmic and Nuclear
View on PubMed DOI

Prediction of Drug-Target Interactions by Combining Dual-Tree Complex Wavelet Transform with Ensemble Learning Method.

Molecules (Basel, Switzerland) Sep 3, 2021
Identification of drug-target interactions (DTIs) is vital for drug discovery. However, traditional biological approaches have some unavoidable shortcomings, such as being time consuming and expensive. Therefore, there is an urgent need to develop no...
Drug Development Support Vector Machine Databases, Protein Receptors, G-Protein-Coupled Wavelet Analysis Receptors, Cytoplasmic and Nuclear Enzymes Ion Channels
View on PubMed DOI

Predicting cryptic ligand binding sites based on normal modes guided conformational sampling.

Proteins Dec 5, 2020
To greatly expand the druggable genome, fast and accurate predictions of cryptic sites for small molecules binding in target proteins are in high demand. In this study, we have developed a fast and simple conformational sampling scheme guided by norm...
Exportin 1 Protein Regression Analysis Area Under Curve Antigens, CD Coronavirus Papain-Like Proteases Antigens, Neoplasm Machine Learning Karyopherins Interleukin-2 Algorithms Protein Tyrosine Phosphatase, Non-Receptor Type 1 Models, Statistical Reproducibility of Results Binding Sites Humans Coronavirus 3C Proteases SARS-CoV-2 Elasticity Molecular Dynamics Simulation ROC Curve Protein Conformation Hepacivirus Computational Biology Receptors, Cytoplasmic and Nuclear Ligands
View on PubMed DOI

The Effect of Resampling on Data-imbalanced Conditions for Prediction towards Nuclear Receptor Profiling Using Deep Learning.

Molecular informatics Mar 31, 2020
In toxicity evaluation based on the nuclear receptor signalling pathway, in silico prediction tools are used for the detection of the early stages of long-term toxicities, the prioritization of newly synthesized chemicals and the acquisition of the s...
Deep Learning Receptors, Cytoplasmic and Nuclear Neural Networks, Computer Algorithms
View on PubMed DOI
Popular Topics
Recent Journals