Structure-based discovery and in vitro validation of inhibitors of chloride intracellular channel 4 protein.
Comput Struct Biotechnol J
; 21: 688-701, 2023.
Article
en En
| MEDLINE
| ID: mdl-36659928
A9C, 9-Anthracenecarboxylic acid; AMPhB, Amphotericin B; Ad, Adenovirus; Allosteric inhibition; Bad, BCL2 associated agonist of cell death; Bcl-2, B-cell lymphoma 2; Bcl-xL, B-cell lymphoma-extra large; CDK, Cyclin-dependent kinases; CLIC, Chloride intracellular channel protein; Chloride intracellular channel protein 4; Computational high-throughput screening; DAPI, 4',6-diamidino-2-phenylindole; DIDS, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid; DMSO, Dimethyl sulfoxide; DOPE, Discrete optimized protein energy; GPU, Graphics Processing Unit; GSH-like catalytic site; GST, glutathione S-transferases; GUI, Graphical User Interface; HEPES, (4-(2-hydroxyethyl)− 1-piperazineethanesulfonic acid;; HIF, Hypoxia-inducible factor; HSQC, Heteronuclear single quantum coherence spectroscopy; HUVEC, Human umbilical vein endothelial cells; IKKß, Inhibitor of nuclear kappa-B-kinase subunit beta; JNK, c-Jun N-terminal kinase; MKK6, Mitogen-activated protein kinase kinase-6; MOI, Multiplicity of infection; NF-κB, Nuclear factor kappa-light-chain-enhancer of activated B cells; NMR, Nuclear magnetic resonance; NPT, The constant-temperature, constant-pressure ensemble; NaCL, Sodium chloride; Nuclear magnetic resonance; PAH, Pulmonary arterial hypertension; RAPA, Rapamycin; SASA, Solvent accessible surface area; SEK1, Dual specificity mitogen-activated protein kinase kinase 4; Smad, Suppressor of Mothers against Decapentaplegic; Structure-based drug discovery; TEV, Tobacco etch virus; TIP3P, Transferable intermolecular potential 3 P; TROSY, Transverse relaxation optimized spectroscopy; UCSF, University of California, San Francisco; VEGF, Vascular endothelial growth factor; p38, Mitogen activated protein kinases
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1
Colección:
01-internacional
Banco de datos:
MEDLINE
Tipo de estudio:
Clinical_trials
/
Prognostic_studies
Idioma:
En
Revista:
Comput Struct Biotechnol J
Año:
2023
Tipo del documento:
Article
País de afiliación:
Sudáfrica