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Volumn 287, Issue 5, 1999, Pages 853-858

The discovery of steroids and other novel FKBP inhibitors using a molecular docking program

Author keywords

[No Author keywords available]

Indexed keywords

FK 506 BINDING PROTEIN; PROTEIN INHIBITOR; STEROID;

EID: 0033574397     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmbi.1999.2621     Document Type: Article
Times cited : (67)

References (24)
  • 1
    • 0029623184 scopus 로고
    • Computational methods to predict binding free-energy in ligand-receptor complexes
    • Ajay, Murcko M. A. Computational methods to predict binding free-energy in ligand-receptor complexes. J. Med. Chem. 38:1995;4953-4967.
    • (1995) J. Med. Chem. , vol.38 , pp. 4953-4967
    • Ajay1    Murcko, M.A.2
  • 3
    • 0027027467 scopus 로고
    • Ludi-rule-based automatic design of new substituents for enzyme- inhibitor leads
    • Bohm H. J. Ludi-rule-based automatic design of new substituents for enzyme- inhibitor leads. J. Comp. Aided Mol. Design. 6:1992;593-606.
    • (1992) J. Comp. Aided Mol. Design , vol.6 , pp. 593-606
    • Bohm, H.J.1
  • 4
    • 0030204057 scopus 로고    scopus 로고
    • Towards the automatic design of synthetically accessible protein ligands - peptides, amides and peptidomimetics
    • Bohm H. J. Towards the automatic design of synthetically accessible protein ligands - peptides, amides and peptidomimetics. J. Comp. Aided Mol. Design. 10:1996;265-272.
    • (1996) J. Comp. Aided Mol. Design , vol.10 , pp. 265-272
    • Bohm, H.J.1
  • 5
    • 0030474049 scopus 로고    scopus 로고
    • What can we learn from molecular recognition in protein-ligand complexes for the design of new drugs?
    • Bohm H. J., Klebe G. What can we learn from molecular recognition in protein-ligand complexes for the design of new drugs? Ange. Chemie Int. Edit. 35:1996;2589-2614.
    • (1996) Ange. Chemie Int. Edit. , vol.35 , pp. 2589-2614
    • Bohm, H.J.1    Klebe, G.2
  • 6
    • 0032571380 scopus 로고    scopus 로고
    • An example of a protein ligand found by database mining: Description of the docking method and its verification by a 2.3Å X-ray structure of a thrombin-ligand complex
    • Burkhard P., Taylor P., Walkinshaw M. D. An example of a protein ligand found by database mining: description of the docking method and its verification by a 2.3Å X-ray structure of a thrombin-ligand complex. J. Mol. Biol. 277:1998;449-466.
    • (1998) J. Mol. Biol. , vol.277 , pp. 449-466
    • Burkhard, P.1    Taylor, P.2    Walkinshaw, M.D.3
  • 7
    • 0023936327 scopus 로고
    • Using shape complementarity as an initial screen in designing ligands for a receptor-binding site of known 3-dimensional structure
    • Desjarlais R. L., Sheridan R. R., Seibel G. L., Dixon J. S., Kuntz I. D., Venkataraghavan R. Using shape complementarity as an initial screen in designing ligands for a receptor-binding site of known 3-dimensional structure. J. Med. Chem. 31:1988;722-729.
    • (1988) J. Med. Chem. , vol.31 , pp. 722-729
    • Desjarlais, R.L.1    Sheridan, R.R.2    Seibel, G.L.3    Dixon, J.S.4    Kuntz, I.D.5    Venkataraghavan, R.6
  • 9
    • 0021871375 scopus 로고
    • A computational-procedure for determining energetically favorable binding-sites on biologically important macromolecules
    • Goodford P. J. A computational-procedure for determining energetically favorable binding-sites on biologically important macromolecules. J. Med. Chem. 28:1985;849-857.
    • (1985) J. Med. Chem. , vol.28 , pp. 849-857
    • Goodford, P.J.1
  • 10
    • 0026209427 scopus 로고
    • An integrated approach to 3-dimensional information management with maccs-3d
    • Guner O. F., Hughes D. W., Dumont L. M. An integrated approach to 3-dimensional information management with maccs-3d. J. Chem. Info. Comp. Sci. 31:1991;408-414.
    • (1991) J. Chem. Info. Comp. Sci. , vol.31 , pp. 408-414
    • Guner, O.F.1    Hughes, D.W.2    Dumont, L.M.3
  • 11
    • 0030708525 scopus 로고    scopus 로고
    • Drug design - discovering high-affinity ligands for proteins
    • Hajduk P. J., Meadows R. P., Fesik S. W. Drug design - discovering high-affinity ligands for proteins. Science. 278:1997;497.
    • (1997) Science , vol.278 , pp. 497
    • Hajduk, P.J.1    Meadows, R.P.2    Fesik, S.W.3
  • 12
    • 0031581852 scopus 로고    scopus 로고
    • Molecular docking to ensembles of protein structures
    • Knegtel R. M. A., Kuntz I. D., Oshiro C. M. Molecular docking to ensembles of protein structures. J. Mol. Biol. 266:1997;424-440.
    • (1997) J. Mol. Biol. , vol.266 , pp. 424-440
    • Knegtel, R.M.A.1    Kuntz, I.D.2    Oshiro, C.M.3
  • 13
    • 0026513446 scopus 로고
    • Solution structure of fk506 bound to fkbp-12
    • Lepre C. A., Thomson J. A., Moore J. M. Solution structure of fk506 bound to fkbp-12. FEBS Letters. 302:1992;89-96.
    • (1992) FEBS Letters , vol.302 , pp. 89-96
    • Lepre, C.A.1    Thomson, J.A.2    Moore, J.M.3
  • 16
    • 0030050335 scopus 로고    scopus 로고
    • Cyclophilin-40 (cyp-40), mapping of its hsp90 binding domain and evidence that fkbp52 competes with cyp-40 for hsp90 binding
    • Ratajczak T., Carrello A. Cyclophilin-40 (cyp-40), mapping of its hsp90 binding domain and evidence that fkbp52 competes with cyp-40 for hsp90 binding. J. Biol. Chem. 271:1996;2961-2965.
    • (1996) J. Biol. Chem. , vol.271 , pp. 2961-2965
    • Ratajczak, T.1    Carrello, A.2
  • 17
    • 0025814761 scopus 로고
    • Proton and nitrogen sequential assignments and secondary structure determination of the human fk506 and rapamycin binding-protein
    • Rosen M. K., Michnick S. W., Karplus M., Schreiber S. L. Proton and nitrogen sequential assignments and secondary structure determination of the human fk506 and rapamycin binding-protein. Biochemistry. 30:1991;4774-4789.
    • (1991) Biochemistry , vol.30 , pp. 4774-4789
    • Rosen, M.K.1    Michnick, S.W.2    Karplus, M.3    Schreiber, S.L.4
  • 18
    • 0030040323 scopus 로고    scopus 로고
    • Reduced surface - an efficient way to compute molecular-surfaces
    • Sanner M. F., Olson A. J., Spehner J. C. Reduced surface - an efficient way to compute molecular-surfaces. Biopolymers. 38:1996;305-320.
    • (1996) Biopolymers , vol.38 , pp. 305-320
    • Sanner, M.F.1    Olson, A.J.2    Spehner, J.C.3
  • 20
    • 0001104552 scopus 로고
    • The cell-cycle, signal-transduction, and immunophilin ligand complexes
    • Schreiber S. L., Albers M. W., Brown E. J. The cell-cycle, signal-transduction, and immunophilin ligand complexes. Acc. Chem. Res. 26:1993;412-420.
    • (1993) Acc. Chem. Res. , vol.26 , pp. 412-420
    • Schreiber, S.L.1    Albers, M.W.2    Brown, E.J.3
  • 21
    • 0029836953 scopus 로고    scopus 로고
    • Discovering high-affinity ligands for proteins - sar by NMR
    • Shuker S. B., Hajduk P. J., Meadows R. P., Fesik S. W. Discovering high-affinity ligands for proteins - sar by NMR. Science. 274:1996;1531-1534.
    • (1996) Science , vol.274 , pp. 1531-1534
    • Shuker, S.B.1    Hajduk, P.J.2    Meadows, R.P.3    Fesik, S.W.4
  • 23
    • 0027439390 scopus 로고
    • Atomic structures of the human immunophilin fkbp-12 complexes with fk506 and rapamycin
    • Vanduyne G. D., Standaert R. F., Karplus P. A., Schreiber S. L., Clardy J. Atomic structures of the human immunophilin fkbp-12 complexes with fk506 and rapamycin. J. Mol. Biol. 229:1993;105-124.
    • (1993) J. Mol. Biol. , vol.229 , pp. 105-124
    • Vanduyne, G.D.1    Standaert, R.F.2    Karplus, P.A.3    Schreiber, S.L.4    Clardy, J.5
  • 24
    • 0027333880 scopus 로고
    • H-1, C-13, and N-15 assignments and secondary structure of the W 06 binding-protein when bound to ascomycin
    • Xu R. X., Nettesheim D., Olejniczak E. T., Meadows R., Gemmecker G., Fesik S. W. H-1, C-13, and N-15 assignments and secondary structure of the W 06 binding-protein when bound to ascomycin. Biopolymers. 33:1993;535-550.
    • (1993) Biopolymers , vol.33 , pp. 535-550
    • Xu, R.X.1    Nettesheim, D.2    Olejniczak, E.T.3    Meadows, R.4    Gemmecker, G.5    Fesik, S.W.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.