AIMC Topic: TRPV Cation Channels

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Discovery of TRPV4-Targeting Small Molecules with Anti-Influenza Effects Through Machine Learning and Experimental Validation.

International journal of molecular sciences Feb 6, 2025
Transient receptor potential vanilloid 4 (TRPV4) is a calcium-permeable cation channel critical for maintaining intracellular Ca homeostasis and is essential in regulating immune responses, metabolic processes, and signal transduction. Recent studies...
TRPV Cation Channels Antiviral Agents Drug Discovery Influenza A virus Humans Small Molecule Libraries Machine Learning Orthomyxoviridae Infections Animals Mice Molecular Docking Simulation Influenza, Human
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Peripheral Blood Mononuclear Cell Biomarkers for Major Depressive Disorder: A Transcriptomic Approach.

Depression and anxiety Oct 3, 2024
Major depressive disorder (MDD) is a complex condition characterized by persistent depressed mood, loss of interest or pleasure, loss of energy or fatigue, and, in severe case, recurrent thoughts of death. Despite its prevalence, reliable diagnostic...
Gene Expression Profiling Adult Transcriptome TRPV Cation Channels Biomarkers Depressive Disorder, Major Male Female Middle Aged Case-Control Studies Leukocytes, Mononuclear Humans
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Discovery of novel TRPV1 modulators through machine learning-based molecular docking and molecular similarity searching.

Chemical biology & drug design Jul 25, 2023
The transient receptor potential vanilloid 1 (TRPV1) channel belongs to the transient receptor potential channel superfamily and participates in many physiological processes. TRPV1 modulators (both agonists and antagonists) can effectively inhibit pa...
TRPV Cation Channels Molecular Dynamics Simulation Ligands Machine Learning Molecular Docking Simulation Humans
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Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning.

Journal of chemical information and modeling Dec 31, 2018
Here we report PPB2 as a target prediction tool assigning targets to a query molecule based on ChEMBL data. PPB2 computes ligand similarities using molecular fingerprints encoding composition (MQN), molecular shape and pharmacophores (Xfp), and subst...
Drug Discovery TRPV Cation Channels Databases, Chemical Polypharmacology Machine Learning Software
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Multicenter integration analysis of TRP channels revealed potential mechanisms of immunosuppressive microenvironment activation and identified a machine learning-derived signature for improving outcomes in gliomas.

CNS neuroscience & therapeutics Jul 1, 2024
AIM: This study aimed to explore the mechanisms of transient receptor potential (TRP) channels on the immune microenvironment and develop a TRP-related signature for predicting prognosis, immunotherapy response, and drug sensitivity in gliomas.
Female Tumor Microenvironment Machine Learning Male TRPV Cation Channels Brain Neoplasms Animals Humans Glioma Transient Receptor Potential Channels Mice
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Machine-learned analysis of the association of next-generation sequencing-based human TRPV1 and TRPA1 genotypes with the sensitivity to heat stimuli and topically applied capsaicin.

Pain Jul 1, 2018
Heat pain and its modulation by capsaicin varies among subjects in experimental and clinical settings. A plausible cause is a genetic component, of which TRPV1 ion channels, by their response to both heat and capsaicin, are primary candidates. Howeve...
Humans Pain Machine Learning Capsaicin High-Throughput Nucleotide Sequencing Hot Temperature Genotype TRPV Cation Channels TRPA1 Cation Channel Pain Threshold Genetic Association Studies
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