氯化物细胞内通道 4 蛋白抑制剂的基于结构的发现和体外验证。
关键词: 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 IKKβ, 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
来 源:
DOI:10.1016/j.csbj.2022.12.040
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