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Volumn 15, Issue 18, 2005, Pages 4037-4042

Synthesis of tripeptides as potent Yersinia protein tyrosine phosphatase inhibitors

Author keywords

Bioterrorism; PTP1B; pTyr mimetics; Tripeptides; YopH

Indexed keywords

PROTEIN TYROSINE PHOSPHATASE 1B; PROTEIN TYROSINE PHOSPHATASE INHIBITOR; TRIPEPTIDE DERIVATIVE;

EID: 23644432990     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2005.06.027     Document Type: Article
Times cited : (22)

References (42)
  • 30
    • 33645180678 scopus 로고    scopus 로고
    • U.S. Pat. Appl. Publ. US 2004138104, A1 20040715 (2004), 15 pp. CAN 141:89372.
    • Burke, T. R.; Lee, K.; Gao, Y.; Phan, J.; Waugh, D. S. U.S. Pat. Appl. Publ. US 2004138104, A1 20040715 (2004), 15 pp. CAN 141:89372.
    • Burke, T.R.1    Lee, K.2    Gao, Y.3    Phan, J.4    Waugh, D.S.5
  • 36
    • 33645184194 scopus 로고    scopus 로고
    • note
    • 1H NMR and FABMS or MALDI, and purified to greater than 98% purity by RPHPLC.
  • 40
    • 6344256147 scopus 로고    scopus 로고
    • note
    • All calculations were performed using Discover 2.98/InsightII with CVFF force field as described by Hagler, A. T.; Lifson, S.; Dauber, P. J. Am. Chem. Soc. 1979, 101, 5122. The crystal structure of YopH having a pTyr mimetic-containing hexapeptide bound was used as the computational model (1QZ0.pdb). The synthetic tripeptide inhibitor 21 was built from the coordinates of this pTyr mimetic-containing hexapeptide as found in the crystal structure using the Builder module in Insight II. The computational complex model was solvated using a solvent sphere of water extending 25.0 Å around the side chain sulfur atom of Cys403. The system was initially minimized using 500 steps of steepest decent and 2000 steps of conjugated gradient with a 14.0 Å nonbonded cutoff distance.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.