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MetabolomicsBiological Potential of Lophosoria quadripinnata Fern Extract: Integration of UHPLC/ESI/QToF/MS Analysis, Antioxidant Activity, Molecular Docking and Molecular Dynamics Simulation

Lophosoria quadripinnata (J.F.Gmel.) C.Chr., a fern species from the Dicksoniaceae family, is widely distributed in Central and South America. This study aimed to identify the bioactive compounds in the aqueous extract of L. quadripinnata, evaluate its antioxidant potential through in vitro analy...

2025-06-27 | MTBLS9336 | MetaboLights
MetabolomicsMolecular Docking and Dynamic Study of Ethanol Extract of Citrus sinensis as Keap-1 and NMDA inhibitor in Brain Injury

Traumatic brain injury is a significant cause of mortality in young adults and disability in all age groups. Secondary injury involving various processes such as oxidative stress, which induced neuronal apoptosis, ensued afterward. This study aimed to analyze the active compounds of Citrus sinens...

2023-01-02 | MTBLS5785 | MetaboLights
MetabolomicsTryptophan Metabolism and AHR Signaling in the Intraocular Fluid of Uveitis: An Exploratory Study Integrating Metabolomics, Single-Cell Transcriptomics, Molecular Docking, and Mendelian Randomization within a Gut–Eye Axis Framework
Uveitis is a highly heterogeneous intraocular inflammatory disease, and recurrent attacks can lead to irreversible visual impairment. Gut microbiota may contribute to its pathogenesis through metabolic products and immune modulation, but existing evidence is largely derived from cross-sectional asso...
2026-08-28 | MTBLS15487 | MetaboLights
TranscriptomicsThe MID-PIWI module of Piwi proteins specifies nucleotide- and strand-biases of piRNAs
Piwi-interacting RNAs (piRNAs) guide Piwi Argonautes to suppress transposon activity in animal gonads. Known piRNA populations are extremely complex, with millions of individual sequences present in a single organism. Despite this complexity, specific Piwi proteins incorporate piRNAs with distinct n...
ORGANISM(S): Bombyx mori 
2014-07-01 | E-GEOD-55451 | biostudies-arrayexpress
UnknownDocking guidance with experimental ligand structural density improves docking pose prediction and virtual screening performance.
Not available
S-EPMC11854350 | biostudies-literature
GenomicsCancer hotspot mutations rewire ERK2 specificity by selective exclusion of docking interactions
Cancer hotspot mutations rewire ERK2 specificity by selective exclusion of docking interactions
PRJNA1208946 | ENA
ProteomicsStructural Premise of Selective Deubiquitinase USP30 Inhibition by Small-Molecule Benzosulfonamides
Dampening functional levels of the mitochondrial deubiquitylating enzyme USP30 has been suggested as an effective therapeutic strategy against neurodegenerative disorders such as Parkinson’s Disease. USP30 inhibition may counteract the deleterious effects of impaired turnover of damaged mitochondria...
ORGANISM(S): Homo Sapiens 
2026-01-12 | PXD042782 | panorama
ProteomicsTowards the molecular architecture of the peroxisomal receptor docking complex
Import of yeast peroxisomal matrix proteins is initiated by cytosolic receptors, which specifically recognize and bind the respective cargo proteins. At the peroxisomal membrane, the cargo-loaded receptor interacts with the membrane docking complex, composed of Pex14p, Pex17p and Pex13p. Previous da...
ORGANISM(S): Saccharomyces cerevisiae (Baker's yeast) 
2020-12-16 | PXD016304 | Pride
Lc-ms Native ms Structural ms Yeast Crosslinking 
TranscriptomicsSnapshots of pre-rRNA structural flexibility reveal eukaryotic 40S assembly dynamics at nucleotide resolution
Ribosome assembly in eukaryotes involves the activity of hundreds of assembly factors that direct the hierarchical assembly of ribosomal proteins and numerous ribosomal RNA folding steps. However, detailed insights into the function of assembly factors and ribosomal RNA folding events are lacking. T...
ORGANISM(S): Saccharomyces cerevisiae 
2014-11-14 | E-GEOD-52878 | biostudies-arrayexpress
UnknownStructural quality of unrefined models in protein docking.
Not available
S-EPMC5167671 | biostudies-literature
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