메뉴 건너뛰기




Volumn 40, Issue 19, 1997, Pages 3085-3090

Molecular modeling and 3D-QSAR studies on the interaction mechanism of tripeptidyl thrombin inhibitors with human α-thrombin

Author keywords

[No Author keywords available]

Indexed keywords

SERINE PROTEINASE INHIBITOR; THROMBIN; THROMBIN INHIBITOR;

EID: 0030828455     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm960309m     Document Type: Article
Times cited : (19)

References (28)
  • 1
    • 0027298337 scopus 로고
    • Designing of a Linker for Trivalent Thrombin Inhibitors: Interaction of the Main Chain of the Linker with Thrombin
    • Szewczuk, Z.; Gibbs, B. F.; Yue, S. Y.; Purisima, E.; Zdanov, A.; Cygler, M.; Konishi, Y. Designing of a Linker for Trivalent Thrombin Inhibitors: Interaction of the Main Chain of the Linker with Thrombin. Biochemistry 1993, 32, 3396-3404.
    • (1993) Biochemistry , vol.32 , pp. 3396-3404
    • Szewczuk, Z.1    Gibbs, B.F.2    Yue, S.Y.3    Purisima, E.4    Zdanov, A.5    Cygler, M.6    Konishi, Y.7
  • 3
    • 0002162129 scopus 로고
    • Activation of the Fibrin-Stabilizing Factor of Plasma by Thrombin
    • Lorand, L.; Konishi, K. Activation of the Fibrin-Stabilizing Factor of Plasma by Thrombin. Arch. Biochem. Biophys. 1964, 105, 58-67.
    • (1964) Arch. Biochem. Biophys. , vol.105 , pp. 58-67
    • Lorand, L.1    Konishi, K.2
  • 4
    • 0027427161 scopus 로고
    • Synthetic Low-Molecular Weight Thrombin Inhibitors: Molecular Design and Pharmacological Profile
    • Tapparelli, C.; Metternich, R.; Ehrharelt, C.; Cook, N. S. Synthetic Low-Molecular Weight Thrombin Inhibitors: Molecular Design and Pharmacological Profile. Trends Pharmacol. Sci. 1993, 14, 366-376.
    • (1993) Trends Pharmacol. Sci. , vol.14 , pp. 366-376
    • Tapparelli, C.1    Metternich, R.2    Ehrharelt, C.3    Cook, N.S.4
  • 5
    • 0024431034 scopus 로고
    • The 1.9 ÅCrystal Structure of Human α-Thrombin: Interaction with D-Phe-Pro-Arg Chloromethylketone and Significance of the Tyr-Pro-Pro Insertion Segment
    • Bode, W.; Mayr, I.; Baumann, U.; Uber, R.; Stone, S. R.; Hofskeenge, J. The 1.9 ÅCrystal Structure of Human α-Thrombin: Interaction with D-Phe-Pro-Arg Chloromethylketone and Significance of the Tyr-Pro-Pro Insertion Segment. Embo J. 1989, 8, 3467-3475.
    • (1989) Embo J. , vol.8 , pp. 3467-3475
    • Bode, W.1    Mayr, I.2    Baumann, U.3    Uber, R.4    Stone, S.R.5    Hofskeenge, J.6
  • 9
    • 0025837452 scopus 로고
    • Crystallographic Analysis at 3.0 Å Resolution of the Binding to Human Thrombin
    • Banner, D. W.; Hadvary, P. Crystallographic Analysis at 3.0 Å Resolution of the Binding to Human Thrombin. J. Biol. Chem. 1991, 266, 20085-20093.
    • (1991) J. Biol. Chem. , vol.266 , pp. 20085-20093
    • Banner, D.W.1    Hadvary, P.2
  • 10
    • 9844256032 scopus 로고
    • Thrombin Inhibitor Binding Mechanism Probed
    • Borman, S. Thrombin Inhibitor Binding Mechanism Probed. Chem. Eng. News 1993, 34-35.
    • (1993) Chem. Eng. News , pp. 34-35
    • Borman, S.1
  • 11
    • 0027288125 scopus 로고
    • Structures of the Nocovalent complexes of Human and Bovine Prothrombin Fragment 2 with Human PPACK- Thrombin
    • Arni, R. K.; Padmandbhan, K.; Padmanabhan, K. P.; Wu, T. P.; Tulinsky, A. Structures of the Nocovalent complexes of Human and Bovine Prothrombin Fragment 2 with Human PPACK- Thrombin. Biochemistry 1993, 32, 4727-4737.
    • (1993) Biochemistry , vol.32 , pp. 4727-4737
    • Arni, R.K.1    Padmandbhan, K.2    Padmanabhan, K.P.3    Wu, T.P.4    Tulinsky, A.5
  • 12
    • 0027218963 scopus 로고
    • Structure of Thrombin complexes with a Designed and a Natural Exosite Peptide Inhibitor
    • Qiu, X.; Yin, M.; Padmanabhan, K. P.; Krstenansky, J. L.; Tulinsky, A. Structure of Thrombin complexes with a Designed and a Natural Exosite Peptide Inhibitor. J. Biol. Chem. 1993, 268, 20318-20326.
    • (1993) J. Biol. Chem. , vol.268 , pp. 20318-20326
    • Qiu, X.1    Yin, M.2    Padmanabhan, K.P.3    Krstenansky, J.L.4    Tulinsky, A.5
  • 13
  • 15
    • 0023751431 scopus 로고
    • Comparative Molecular Field Analysis (CoMFA). I. Effect of Shape on Binding of Steroids to Carried Proteins
    • Cramer, D. R. III; Paterson, D. E.; Bunce, J. D. Comparative Molecular Field Analysis (CoMFA). I. Effect of Shape on Binding of Steroids to Carried Proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
    • Cramer III, D.R.1    Paterson, D.E.2    Bunce, J.D.3
  • 16
    • 0031034827 scopus 로고    scopus 로고
    • Binding conformers searching method for ligands according to the structures of their receptors and its application to phosphonopeptidyl thrombin inhibitors
    • Jiang, H. L.; Chen, K. X.; Tang, Y.; Chen, J. Z.; Wang, Q. M.; Ji, R. Y. Binding conformers searching method for ligands according to the structures of their receptors and its application to phosphonopeptidyl thrombin inhibitors. Acta Sin. Pharmacol. 1997, 18, 36-44.
    • (1997) Acta Sin. Pharmacol. , vol.18 , pp. 36-44
    • Jiang, H.L.1    Chen, K.X.2    Tang, Y.3    Chen, J.Z.4    Wang, Q.M.5    Ji, R.Y.6
  • 18
    • 0001650642 scopus 로고
    • A good ligand is hard to find: Automated docking methods
    • Banney J. M.; Dixon J. C. A good ligand is hard to find: Automated docking methods. Persp. Drug Discov. Des. 1993, 1, 301-319.
    • (1993) Persp. Drug Discov. Des. , vol.1 , pp. 301-319
    • Banney, J.M.1    Dixon, J.C.2
  • 19
    • 9844220781 scopus 로고
    • SYBYL programming language (SPL)
    • Tripos Associates, St. Louis, MO
    • SYBYL programming language (SPL). Computer programming language for SYBYL software. Tripos Associates, St. Louis, MO, 1994.
    • (1994) Computer Programming Language for SYBYL Software
  • 20
    • 0024154259 scopus 로고
    • Multivariate Analysis and Experimental Design in Biochemical Research
    • Stahle, L.; Wold, S. Multivariate Analysis and Experimental Design in Biochemical Research. Prog. Med. Chem. 1988, 25, 292-337.
    • (1988) Prog. Med. Chem. , vol.25 , pp. 292-337
    • Stahle, L.1    Wold, S.2
  • 21
    • 34250078600 scopus 로고
    • Partial Least Squares (PLS) Strengths and Limitations
    • Cramer, R. D. III. Partial Least Squares (PLS) Strengths and Limitations. Presp. Drug. Discov. Des. 1993, 1 (2), 269-278.
    • (1993) Presp. Drug. Discov. Des. , vol.1 , Issue.2 , pp. 269-278
    • Cramer III, R.D.1
  • 23
    • 0025328906 scopus 로고
    • Highly Active and Selective Anticoagulants: D-Phe- Pro-Arg-H, A Free Tripeptide Aldehyde Prone to Spontaneous Inactivation, and It's Stable N-Methyl Derivative, D-MePhe-Pro- Arg-H
    • Bajusz, S.; Szell, E.; Bagdy, D.; Barabas, E.; Horvath, G.; Dioszegi, M.; Fittler, Z.; Szabo, G.; Juhasz, A.; Tomori, E.; Szilagyi, G. Highly Active and Selective Anticoagulants: D-Phe- Pro-Arg-H, A Free Tripeptide Aldehyde Prone to Spontaneous Inactivation, and It's Stable N-Methyl Derivative, D-MePhe-Pro- Arg-H. J. Med. Chem. 1990, 33, 1729-1735.
    • (1990) J. Med. Chem. , vol.33 , pp. 1729-1735
    • Bajusz, S.1    Szell, E.2    Bagdy, D.3    Barabas, E.4    Horvath, G.5    Dioszegi, M.6    Fittler, Z.7    Szabo, G.8    Juhasz, A.9    Tomori, E.10    Szilagyi, G.11
  • 24
    • 0024992889 scopus 로고
    • Substrate-Related Phosphonopeptides, A New Class of Thrombin Inhibitors, from A Marine Sponge Theonella SP
    • Fusetani, N.; Matsunaga, S. Substrate-Related Phosphonopeptides, A New Class of Thrombin Inhibitors, from A Marine Sponge Theonella SP. J. Am. Chem. Soc. 1990, 112, 7053-7054.
    • (1990) J. Am. Chem. Soc. , vol.112 , pp. 7053-7054
    • Fusetani, N.1    Matsunaga, S.2
  • 26
    • 0000460468 scopus 로고
    • The Conformational Parameter in Drug Design
    • Olson, Christofersen, E. C. Eds.; American Chemical Society, Washington, DC
    • Marshall, G. R.; Barry, C. D. Bosshard, H. E.; Dammkoehler, R. A.; Dunn, D. A. The Conformational Parameter in Drug Design. In The American Chemical Society Symposium; Olson, Christofersen, E. C. Eds.; American Chemical Society, Washington, DC, 1979; Vol. 112, pp 205-226.
    • (1979) The American Chemical Society Symposium , vol.112 , pp. 205-226
    • Marshall, G.R.1    Barry, C.D.2    Bosshard, H.E.3    Dammkoehler, R.A.4    Dunn, D.A.5
  • 28
    • 0029000691 scopus 로고
    • Methodological Advances in Molecular Dynamics Simulations of Biological Systems
    • Brook, C. L., III. Methodological Advances in Molecular Dynamics Simulations of Biological Systems. Curr. Opin. Struct. Biol. 1995, 5, 211-215.
    • (1995) Curr. Opin. Struct. Biol. , vol.5 , pp. 211-215
    • Brook III, C.L.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.