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Volumn 18, Issue 22, 2008, Pages 5955-5958

Design and synthesis of AX4697, a bisindolylmaleimide exo-affinity probe that labels protein kinase C alpha and beta

Author keywords

AX4697; Bisindolylmaleimide; Exo affinity label; Kinase probe; PKC ; PKC

Indexed keywords

AX 4697; BISINDOLYLMALEIMIDE; CALYCULIN A; PROTEIN KINASE C ALPHA; PROTEIN KINASE C BETA; STAUROSPORINE; UNCLASSIFIED DRUG;

EID: 55249086702     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2008.08.045     Document Type: Article
Times cited : (5)

References (25)
  • 9
    • 0027297043 scopus 로고
    • Fluorescent, bisindolylmaleimide-based PKC inhibitors have been described as cytological stains, see: However, because these compounds lack a means to covalently tag their target proteins, they cannot be used as activity based probes in proteomic profiling experiments
    • Fluorescent, bisindolylmaleimide-based PKC inhibitors have been described as cytological stains, see:. Chen C.S., and Poenie M. J. Biol. Chem. 268 (1993) 15812 However, because these compounds lack a means to covalently tag their target proteins, they cannot be used as activity based probes in proteomic profiling experiments
    • (1993) J. Biol. Chem. , vol.268 , pp. 15812
    • Chen, C.S.1    Poenie, M.2
  • 21
    • 0035913529 scopus 로고    scopus 로고
    • The coordinates for the PDB entry 2I0E (Grodsky et al., see below) were imported into the Maestro molecular modeling environment (http://www.schroedinger.com). Hydrogen atom addition and bond-valence corrections were performed using default parameters. A model of the covalently bound AX4697 was constructed using the build tools of Maestro and energy-minimized using the MacroModel implementation of the OPLS2005 force field: In order to reduce artifacts during the minimization calculations, a simplified version of AX4697 lacking the TAMRA tag was used throughout. Both indole nitrogen atoms of PDS were considered as attachment points for the AX4697 linker. Calculated energy values for both assemblies were nearly identical, and the presented model was chosen based on the minimal shift of the bisindolylmaleimide atoms compared to the crystallographic pose.
    • The coordinates for the PDB entry 2I0E (Grodsky et al., see below) were imported into the Maestro molecular modeling environment (http://www.schroedinger.com). Hydrogen atom addition and bond-valence corrections were performed using default parameters. A model of the covalently bound AX4697 was constructed using the build tools of Maestro and energy-minimized using the MacroModel implementation of the OPLS2005 force field:. Kaminski G.A., Friesner R.A., Tirado-Rives J., Jorgensen W.J.J. Phys. Chem. B 105 (2001) 6474 In order to reduce artifacts during the minimization calculations, a simplified version of AX4697 lacking the TAMRA tag was used throughout. Both indole nitrogen atoms of PDS were considered as attachment points for the AX4697 linker. Calculated energy values for both assemblies were nearly identical, and the presented model was chosen based on the minimal shift of the bisindolylmaleimide atoms compared to the crystallographic pose.
    • (2001) Phys. Chem. B , vol.105 , pp. 6474
    • Kaminski, G.A.1    Friesner, R.A.2    Tirado-Rives, J.3    Jorgensen, W.J.J.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.