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ProteomicsMass Spectrometry Methods and Mathematical PK/PD Model for Decision Tree-Guided Covalent Drug Development
Covalent drug discovery efforts are growing rapidly but have major unaddressed limitations. These include high false positive rates during hit-to-lead identification; the inherent uncoupling of covalent drug concentration and effect [i.e., uncoupling of pharmacokinetics (PK) and pharmacodynamics (PD...
ORGANISM(S): Mus musculus (Mouse) 
2025-01-23 | PXD046903 | Pride
Covalent drug discovery Als Intact protein mass spectrometry Pk/pd 
UnknownPhotocatalytic performance, anti-bacterial activities and 3-chlorophenol sensor fabrication using MnAl2O4·ZnAl2O4 nanomaterials.
Not available
S-EPMC9419424 | biostudies-literature
UnknownVirtual screening, molecular dynamics and structure-activity relationship studies to identify potent approved drugs for Covid-19 treatment.
Not available
S-EPMC7441776 | biostudies-literature
ProteomicsEvaluating protein crosslinking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS
Mutations in the gene encoding Cu-Zn superoxide dismutase 1 (SOD1) cause a subset of familial amyotrophic lateral sclerosis (fALS) cases. A shared effect of these mutations is that SOD1, which is normally a stable dimer, dissociates into toxic monomers that seed toxic aggregates. Considerable resear...
ORGANISM(S): Mus musculus (Mouse) 
2023-12-17 | PXD047030 | Pride
Cross-linking Pharmacological chaperone Amyotrophic lateral sclerosis (als) Stabilization Sod1 
UnknownDFT Insights into MAX Phase Borides Hf2AB [A = S, Se, Te] in Comparison with MAX Phase Carbides Hf2AC [A = S, Se, Te].
Not available
S-EPMC10500686 | biostudies-literature
UnknownDiscovery of a novel Keap1 inhibitor for neurodegeneration through virtual screening and molecular dynamics simulations.
Not available
S-EPMC12863475 | biostudies-literature
UnknownThe Geospatial Distribution of Myositis and Its Phenotypes in the United States and Associations With Roadways: Findings From a National Myositis Patient Registry.
Not available
S-EPMC8966380 | biostudies-literature
UnknownBioactive small compounds effectively inhibit ChREBP overexpression to treat NAFLD and T2DM: A computational drug development approach.
Not available
S-EPMC11872590 | biostudies-literature
UnknownAssociation of T-Cell Phenotypes With Peri-Coronary Inflammation in People With and Without HIV and Without Cardiovascular Disease.
Not available
S-EPMC11753945 | biostudies-literature
UnknownUnveiling promising phytocompounds from Moringa oleifera as dual inhibitors of EGFR<sup>(T790M/C797S)</sup> and VEGFR-2 in non-small cell lung cancer through in silico screening, ADMET, dynamics simulation, and DFT analysis.
Not available
S-EPMC11372720 | biostudies-literature
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