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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
MetabolomicsClinacanthus nutans fractions exert anti-nasopharyngeal carcinoma effects: integrating untargeted metabolomics, network pharmacology, molecular docking and experimental validation

Background: Clinacanthus nutans (C. nutans), a Southeast Asian medicinal herb, has ethnopharmacological potential against nasopharyngeal carcinoma (NPC). This study aimed to elucidate the bioactive compounds, potential molecular targets, and regulatory pathways responsible for the anticancer acti...

2026-01-05 | MTBLS13610 | MetaboLights
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
MetabolomicsAntioxidant Activity, Phytochemical Profiling by UPLC-QTOF-MS, and In Silico Targeting of the RNA-Binding Protein DRBD18 of Trypanosoma brucei by Bioactive Compounds from Tetradenia riparia and Tetracera poggei
Oxidative stress plays a key role in the pathogenesis of African trypanosomiasis, and plant-derived antioxidants represent a promising source of dual-action compounds capable of both scavenging reactive oxygen species and interfering with parasite survival. The present study investigates the antioxi...
2026-09-10 | MTBLS15597 | MetaboLights
UnknownFast and versatile sequence-independent protein docking for nanomaterials design using RPXDock.
Not available
S-EPMC10237659 | biostudies-literature
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
GenomicsCardiolipin is required for membrane docking of mitochondrial ribosomes and protein synthesis
Cardiolipin is required for membrane docking of mitochondrial ribosomes and protein synthesis
PRJNA623379 | ENA
UnknownRapid Design of Knowledge-Based Scoring Potentials for Enrichment of Near-Native Geometries in Protein-Protein Docking.
Not available
S-EPMC5261736 | biostudies-literature
TranscriptomicsTranscription profiling of human skeletal muscle reflects responses to inadequate protein intake in younger and older males
Inadequate protein intake initiates an accommodative response with adverse changes in skeletal muscle function and structure. mRNA level changes due to short-term inadequate dietary protein might be an early indicator of accommodation. The aims of this study were to assess the effects of dietary p...
ORGANISM(S): Homo sapiens 
2008-10-26 | E-GEOD-9419 | biostudies-arrayexpress
UnknownProtein-protein docking with a reduced protein model accounting for side-chain flexibility.
Not available
S-EPMC2323887 | biostudies-literature
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