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Volumn 17, Issue 18, 2007, Pages 5025-5031

Identification of dissociated non-steroidal glucocorticoid receptor agonists

Author keywords

Anti inflammatory; Aromatase; Glucocorticoid receptor; Glucocorticoid receptor agonist; IL 6

Indexed keywords

AGENTS INTERACTING WITH TRANSMITTER, HORMONE OR DRUG RECEPTORS; DEXAMETHASONE; NONSTEROIDAL GLUCOCORTICOID RECEPTOR STIMULATING AGENT; UNCLASSIFIED DRUG; ZK 16348;

EID: 34547919583     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2007.07.031     Document Type: Article
Times cited : (33)

References (40)
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    • This work was previously disclosed in part: Kuzmich, D.; Kirrane, T.; Bekkali, Y.; Zindell, R.; Beck, L.; Nabozny, J.; Proudfoot, J.; Nelson, R.; Shih, S.-K.; Capolino, A.; Paw, Z.; Reilly, P.; Deleon, R.; Thomson, D. In Inflammation Research Association, 12th International Conference, October 3-7, Bolton Landing, NY, USA., Poster A039, 2004.
  • 28
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    • Bekkali, Y.; Cardozo, M. G.; Kirrane, T. M.; Kuzmich, D.; Proudfoot, J. R.; Takahashi, H.; Thomson, D.; Wang, J.; Zindell, R.; Harcken, C. H. J. J.; Razavi, H. PCT Int. Appl. WO 03/082787, 2003.
  • 29
    • 34547916593 scopus 로고    scopus 로고
    • note
    • 50 standard deviations of 20-40% about the mean. The ER fluorescence polarization competitive binding assays were performed according to the protocol provided with the Panvera kit P-2614.
  • 30
    • 34547901187 scopus 로고    scopus 로고
    • note
    • 50 values. Top concentration in the assay was 2 μM.
  • 31
    • 34547882026 scopus 로고    scopus 로고
    • note
    • 50 standard deviations of 30-50% about the mean.
  • 33
    • 0032575057 scopus 로고    scopus 로고
    • RCSB protein data bank id: 1A28
    • Williams S.P., and Sigler P.B. Nature 393 (1998) 392 RCSB protein data bank id: 1A28
    • (1998) Nature , vol.393 , pp. 392
    • Williams, S.P.1    Sigler, P.B.2
  • 35
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    • Bledsoe, R. K; Lambert, M. H.; Montana, V. G.; Stewart, E. L.; Xu, E. H. Eur. Pat. Appl. 1375517, 2004;
  • 37
    • 29544437502 scopus 로고    scopus 로고
    • Recently we reported the absolute stereochemistry of the more potent enantiomer in our series, see:
    • Recently we reported the absolute stereochemistry of the more potent enantiomer in our series, see:. Lee T.W., Proudfoot J.R., and Thomson D. Bioorg. Med. Chem. Lett. 16 (2006) 654
    • (2006) Bioorg. Med. Chem. Lett. , vol.16 , pp. 654
    • Lee, T.W.1    Proudfoot, J.R.2    Thomson, D.3
  • 38
    • 34547856380 scopus 로고    scopus 로고
    • note
    • (S)-Enantiomer of compound 3 was docked into the GR-LDB pocket using the GR-LBD/dexamethasone co-crystal structure deposited in the RCSB protein data bank (PBD ID 1P93) to afford Figure 2b. The docking studies were done using Cerius2, LigandFit. The docking site was defined using dexamethasone and enlarged to fill available space. The energy grid was calculated with a distance-dependent dielectric constant of 1.0 and a non-bonded cutoff distance of 10.0 Å and the grid was extended 5.0 Å from the site. Docking was performed with a flexible ligand. Clustering of the docked ligands was performed using complete linkage with a distance threshold of 1.5 Å. Site partitioning was used with one partition.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.