Your browser doesn't support javascript.
loading
Structure-based discovery and in vitro validation of inhibitors of chloride intracellular channel 4 protein.
Olotu, Fisayo; Medina-Carmona, Encarnacion; Serrano-Sanchez, Angela; Ossa, Felipe; El-Hamdaoui, Abdelaziz; Bishop, Özlem Tastan; Ortega-Roldan, Jose L; Abdul-Salam, Vahitha B.
Afiliación
  • Olotu F; Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Makhanda 6139, South Africa.
  • Medina-Carmona E; School of Biosciences, University of Kent, CT2 7NJ Canterbury, United Kingdom.
  • Serrano-Sanchez A; Departamento de Quimica-Fisica, Facultad de Ciencias, Universidad de Granada, Spain.
  • Ossa F; School of Biosciences, University of Kent, CT2 7NJ Canterbury, United Kingdom.
  • El-Hamdaoui A; Centre for Cardiovascular Medicine and Device Innovation, William Harvey Research Institute, Barts and The London School of Medicine and Dentistry, Queen Mary University of London, United Kingdom.
  • Bishop ÖT; Centre for Cardiovascular Medicine and Device Innovation, William Harvey Research Institute, Barts and The London School of Medicine and Dentistry, Queen Mary University of London, United Kingdom.
  • Ortega-Roldan JL; Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Makhanda 6139, South Africa.
  • Abdul-Salam VB; School of Biosciences, University of Kent, CT2 7NJ Canterbury, United Kingdom.
Comput Struct Biotechnol J ; 21: 688-701, 2023.
Article en En | MEDLINE | ID: mdl-36659928
Palabras clave
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

Texto completo: 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

Texto completo: 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