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Volumn 18, Issue 19, 2008, Pages 5285-5289

Kinase array design, back to front: Biaryl amides

Author keywords

cFMS; Inhibitors; Kinase array design; p38 MAP kinase; p38a; Structure based drug design

Indexed keywords

ADENOSINE TRIPHOSPHATE; AMIDE; CYCLIN DEPENDENT KINASE 2; EPIDERMAL GROWTH FACTOR RECEPTOR; EPIDERMAL GROWTH FACTOR RECEPTOR 4; MITOGEN ACTIVATED PROTEIN KINASE; MITOGEN ACTIVATED PROTEIN KINASE 14; PHOSPHOTRANSFERASE; PHOSPHOTRANSFERASE INHIBITOR; POLO LIKE KINASE 1; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE; PROTEIN CFMS; PROTEIN KINASE LCK; PURINE; RAF PROTEIN; SERUM AND GLUCOCORTICOID REGULATED KINASE 1; UNCLASSIFIED DRUG; VASCULOTROPIN RECEPTOR 2;

EID: 52049086906     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2008.08.051     Document Type: Article
Times cited : (21)

References (17)
  • 11
    • 52049096263 scopus 로고    scopus 로고
    • note
    • A sub-set of a small-molecule X-ray crystal structure database (Allen, F.; Acta Cryst., 2002, B58, 380) was converted into Catalyst format (Accelrys Inc.) and searched using a 3D pharmacophore query built using the X-ray complex of 2 in p38α. Molecules hitting the query were processed to retain only the subgraphs containing the query features. These were converted into a 2D SMARTS representation (Daylight Chemical Systems Inc.) with generic atoms and bonds, with the exception of the hinge H-bond acceptor atom and an attachment Br or I atom replacing the tolyl ring of the query. The SMARTS queries were then used to search the GSK database for available reagents, which were examined and filtered by eye.
  • 12
    • 52049111072 scopus 로고    scopus 로고
    • note
    • 3a.
  • 13
    • 52049118402 scopus 로고    scopus 로고
    • note
    • 3a The final R-factor achieved for each complex was 17.2% for compound 6a and 16.9% for compound 19b. The coordinates have been deposited in the PDB as entries 3E92 and 3E93. Figures were produced using Pymol (DeLano, W.L., DeLano Scientific, Palo Alto CA, USA. http://www.pymol.org).
  • 17
    • 52049115009 scopus 로고    scopus 로고
    • note
    • Pharmacokinetic parameters derived from a composite blood sampling profile in male Lewis rats were determined following intravenous (iv) and oral (po) administration at 1 mg/kg. Compound was administered as a solution in 10% DMSO/70% PEG200/20% water. Blood was collected over a 12 h time period. Plasma preparation, sample analysis and data generation were carried out as described in Ref. 3a.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.