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Volumn 13, Issue 16, 2003, Pages 2781-2784

Design and synthesis of potent and selective macrocyclic thrombin inhibitors

Author keywords

[No Author keywords available]

Indexed keywords

PROLINE DERIVATIVE; PYRAZINOIC ACID DERIVATIVE; THROMBIN; THROMBIN INHIBITOR; TRYPSIN; TRYPSIN INHIBITOR;

EID: 12444322672     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0960-894X(03)00506-7     Document Type: Article
Times cited : (28)

References (23)
  • 1
    • 85031154986 scopus 로고    scopus 로고
    • Thrombosis in Cardiovascular Disorders; Fuster, V., Verstraete, M., Eds.; W.B. Saunders: Philadelphia, 1992.
    • Thrombosis in Cardiovascular Disorders; Fuster, V., Verstraete, M., Eds.; W.B. Saunders: Philadelphia, 1992.
  • 2
    • 85031158630 scopus 로고    scopus 로고
    • Parenteral administration of low molecular weight heparin and intense patient monitoring required with warfarin limit their chronic utility.
  • 4
    • 0001780059 scopus 로고    scopus 로고
    • Coburn C.A. Exp. Opin. Ther. Patents. 11:2001;1 Sanderson P.E.J. Annu. Rep. Med. Chem. 36:2001;79 Vacca J.P. Annu. Rep. Med. Chem. 33:1998;81.
    • (2001) Exp. Opin. Ther. Patents , vol.11 , pp. 1
    • Coburn, C.A.1
  • 5
    • 0002362826 scopus 로고    scopus 로고
    • Coburn C.A. Exp. Opin. Ther. Patents. 11:2001;1 Sanderson P.E.J. Annu. Rep. Med. Chem. 36:2001;79 Vacca J.P. Annu. Rep. Med. Chem. 33:1998;81.
    • (2001) Annu. Rep. Med. Chem. , vol.36 , pp. 79
    • Sanderson, P.E.J.1
  • 6
    • 77956716245 scopus 로고    scopus 로고
    • Coburn C.A. Exp. Opin. Ther. Patents. 11:2001;1 Sanderson P.E.J. Annu. Rep. Med. Chem. 36:2001;79 Vacca J.P. Annu. Rep. Med. Chem. 33:1998;81.
    • (1998) Annu. Rep. Med. Chem. , vol.33 , pp. 81
    • Vacca, J.P.1
  • 10
    • 85031148484 scopus 로고    scopus 로고
    • 4.
  • 20
    • 85031161505 scopus 로고    scopus 로고
    • Calculated LogP (ChemDraw) for 20 and 23 are 3.7 and 2.6. respectively.
  • 22
    • 84986437005 scopus 로고
    • Multiple conformations of the macrocycles were generated using the metric matrix distance geometry algorithm JG (S. Kearsley, Merck & Co., Inc., unpublished). The generated conformers were energy-minimized within the thrombin active site using MacroModel (ref 17b) with the MMFF force field, and allowing Glu192 to adjust to the inhibitor.
    • (a) Multiple conformations of the macrocycles were generated using the metric matrix distance geometry algorithm JG (S. Kearsley, Merck & Co., Inc., unpublished). The generated conformers were energy-minimized within the thrombin active site using MacroModel (ref 17b) with the MMFF force field, and allowing Glu192 to adjust to the inhibitor. (b) Mohamadi F., Richards N.G.J., Guida W.C., Liskamp R., Lipton M., Caufield C., Chang G., Hendrickson T., Still W.C. J. Comput. Chem. 11:1990;440.
    • (1990) J. Comput. Chem. , vol.11 , pp. 440
    • Mohamadi, F.1    Richards, N.G.J.2    Guida, W.C.3    Liskamp, R.4    Lipton, M.5    Caufield, C.6    Chang, G.7    Hendrickson, T.8    Still, W.C.9
  • 23
    • 0032558382 scopus 로고    scopus 로고
    • Differences in electrostatic potential caused by E/Q192 have been proposed as an important factor in the selective binding of PAI-1 to tPA versus thrombin.
    • Differences in electrostatic potential caused by E/Q192 have been proposed as an important factor in the selective binding of PAI-1 to tPA versus thrombin. Rezaie A.R. Biochemistry. 37:1998;13138.
    • (1998) Biochemistry , vol.37 , pp. 13138
    • Rezaie, A.R.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.