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Document 67. Sturzebecher J, Sturzebecher U, Vieweg H, Wagner G, Hauptmann J, Markwardt F. Synthetic inhibitors of bovine factor Xa and thrombin comparison of their anticoagulant efficiency. Thrombosis Res 1989; 54:245–252. 68. Ohta N, Brush M, Jacobs JW. Interaction of antistasin-related peptides with factor Xa: identification of a core inhibitory sequence. Thromb Haemostasis (GERMANY) 1994; 72:825–830. 69. The preliminary modeled structures of the synthetic inhibitors described in this review were constructed and energy minimized by the author using HyperChem (1995, Hypercube, Inc., Release 4.5). Docking of these inhibitors to the active site of Factor Xa was accomplished by the author using the x-ray coordinates of native Factor Xa [4] and INSIGHT II (Biosym Technologies, Inc.) and the approach outlined in Section 6. http://legacy.netlibrary.com/nlreader/nlReader.dll?bookid=12640&filename=Page_293.html (2 of 2) [4/5/2004 5:17:35 PM]
Document Page 294 70. Seligmann B, Stringer SK, Ostrem JA, Al-Obeidi F, Wildgoose P, Walser A, Safar P, Safarova A, LoCascio A, Spoonamore J, Thorpe DS, Kasireddy P, Ashmore B, Strop P. SEL 2711: a specific, orally available, active-site inhibitor of Factor Xa discovered using synthetic combinatorial chemistry. Abstract, Sixth IBC International Symposium on Advances in Anticoagulants and Antithrombotics. Washington, D. C., Oct. 23–24, 1995. 71. Al-obeidi F, Lebl M, Safar P, Stierandova A, Strop P, Walser A. Factor Xa inhibitors, Patent Appl. WO 95/29189; 1995. 72. Lewis SD, Ng AS, Balwin JJ, Fusetani N, Naylor AM, Shafer JA. Inhibition of thrombin and other trypsin-like serine proteinases by cyclotheonamide A Thrombosis Research 1993; 70:173–190. 73. Lee AY, Hagihara M, Karmacharya R, Albers MW, Schreiber, SL, Clardy J. Atomic structure of the trypsin-cyclotheonamide A complex: lessons for the design of serine protease inhibitors. J Am Chem Soc 1993; 115:12619. 74. Marynoff BE, Qui X, Padmanabhan KP, Tulinsky A, Almond Jr HR, Andrade- Gordon P, Greco MN, Kauffman JA, Nicolaou KC, Liu A, Brungs PH, Fusetani N. Proc Natl Acad Sci USA 1993; 90:8048. 75. Ripka W, Brunck T, Stanssens P, LaRoche Y, Lauwereys M, Lambeir A-M, Lasters I, DeMaeyer M, Vlasuk G, Levy O, Miller T, Webb T, Tamura S, Pearson D. Strategies in the design of inhibitors of serine proteases of the coagulation cascade—factor Xa. Eur J Med Chem 1995; 30 (Suppl):88s–100s. 76. Lasters I, DeMaeyer M, Ripka W. Bovine pancreatic trypsin inhibitor derived inhibitors of Factor Xa. Pat Appl WO 94/01461; 1994. 77. McGrath ME, Erpel T, Bystroff C, Fletterick RJ. Macromolecular chelation as an improved mechanism of protease inhibition: structure of the ecotin-trypsin complex. EMBO 1994; 13:1502–1507. 78. Desmet J, DeMaeyer M, Hazes B, Lasters I. Nature 1992; 356:539. 79. Grasberger BL, Clore AM, Gronenborn GM. Structure 1994; 2:669–678. 80. Huang K, Strynadka NCJ, Bernard VD, Peanasky RJ, James MNG. Structure 1994; 2:679–689. http://legacy.netlibrary.com/nlreader/nlReader.dll?bookid=12640&filename=Page_294.html (1 of 2) [4/5/2004 5:17:42 PM]
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Structure-based Drug Design 14 Stru
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Document Page 56 It is also attract
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Document Table 3 HIV-1 RT Amino Aci
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Document Page 61 now clear that the
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Document 106. Cirino NM, Cameron CE
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Document 163. Lacey SF, Larder BA.
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Document Page 106 on the same ring
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Document Page 108 mulate during tre
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Document Page 125 binding site on t
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Document Page 127 The des-Arg 9 for
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Document Page 129 tolerated by the
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Document receptor, it has not yet b
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Document Page 135 might be jointly
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Document Page 137 observed for the
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Document B. Pharmacology Figure 1 T
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Document We determined the structur
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Document Figure 3 Previously known
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Document large solvent channels and
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Document IV. Drug Design Progressio
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Document position eight from formin
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Document Table 1 Inhibition Data fo
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Document Page 166 As predicated, th
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Document References 1. Parks RE Jr.
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Document 17. Ealick SE, Rule SA, Ca
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Document 6 Structural Implications
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Document Figure 1 A ribbon model of
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Document Page 176 0.43 Å) as the c
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Document Page 178 studies show that
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Document Figure 5 (a) A cut away vi
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Document Page 182 (SAR) model. The
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Document IX. S2' Interactions Page
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Document Important for the validity
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Document Figure 4 Amino acids impor
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Document III. Results and Discussio
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Document Page 202 269, and valine-2
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Document Figure 6 Structure of α h
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Document Page 205 enzyme and of phe
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Document Page 207 sure and the acti
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Page 319 and 320: Document balance its pro- and antic
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Page 335 and 336: Document Lys in the P1 position is
Page 337 and 338: Document Page 276 In both cases the
Page 339 and 340: Document Page 278 The n=3 chain len
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Page 343 and 344: Document Figure 11 dArg-ATS 32-38 m
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Page 363 and 364: Document 12 Polypeptide Modulators
Page 365 and 366: Document Page 297 whereas, calcium
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Page 373 and 374: Document A. Chemical Modification P
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Page 383 and 384: Document Page 314 anemone toxins an
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Page 395 and 396: Document 13 Rational Design of Reni
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Page 407 and 408: Document C. Specificity Figure 4 Th
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Document 17. Szelke M. Chemistry of
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Document Table 1 Trypanosomal Targe
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Document Figure 6 Stereoview of NAD
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Document 5-Methoxytryptamine 19.0 9
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Document 65. João HC, Williams RJP
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Document 84. Verlinde CLMJ, Hol WGJ
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Document 16 Progress in the Design
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Document Table 1 Known Three-Dimens
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Document Page 398 with growth hormo
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Document All effects of the IL-1 fa
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Document Page 405 strands constitut
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Document Figure 6 (a) Stereo diagra
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Document Page 412 ture is unlike ot
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Document Page 416 positions of the
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Document Figure 11 Functional resid
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Document Figure 13 The identified p
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Document B. Interleukin-1 Receptor
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Document Page 423 American Home Pro
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Document Page 425 Antinflammatory D
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Document Page 427 These aromatic di
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Document 5. Dinarello CA. On the Bi
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Document 21. Seckinger P, Lowenthal
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Document 39. Saurat JH, Schfferli J
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Document receptor antagonist into a
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Document 74. Bender PE, Lee JC., ed
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Document 102. Machin PJ, Osbond JM,
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Document 17 Structure and Functiona
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Document Table 1 Approval Indicatio
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Document Page 438 proteins. One pot
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Document II. Type IFNs A great deal
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Document Page 441 sequence of the m
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Document Page 443 that allowed for
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Document Figure 4 Stereo view of IF
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Document Figure 5 Velcro-key model
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Document Figure 6 Proposed receptor
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Document Page 451 with the cytoplas
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Document for directed subcellular t
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Document 13. Stewart HJ, McCann SHE
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Document 33. Szente BE, Johnson HM.
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Document Figure 1 A schematic diagr
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Document Page 462 strains of influe
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Document Page 464 could not again b
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Document Figure 3 (a) A MOLSCRIPT [
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Document B. Protein Structure Page
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Document Figure 5 (a) Stereo image
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Document Page 471 molecules in the
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Document hydroxy, and 6 Neu5Ac2en -
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Document Figure 8 Stereo image of t
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Document Page 476 nM, respectively.
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Document Page 478 lished—was asso
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Document VI. Conclusion Page 480 It
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Document 21. Both GW, Sleigh MJ, Co
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Document 40. Drzenick R, Frank H, R
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Document 45. Varghese JN, Laver WG,
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Document 64. Ward CW, Elleman TC, A
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Document 80. Suzuki Y, Sato K, Kiso
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Document Page 486 95. Ryan DM, Tice
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Document Page 488 against most of t
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Document A. The Canyon Page 491 The
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Document Subsequent studies have sh
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Document Page 495 of the RNA and pr
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Document Figure 4 A ribbon diagram
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Document Figure 5 Some compounds wh
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Document Figure 7 HRV14 VP1 hydroph
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Document C. Structure-Activity Rela
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Document Hydrophobicity Requirement
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Document Figure 9 A solvent-accessi
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Document accommodate a variety of d
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Document Figure 10 Possible hydroge
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Document Page 514 sis. Large number
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Document conformational transition
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Document Page 518 The differences b
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Document 10. Mast EE, Harmon MW, Gr
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Document 25. Arnold E, Rossmann MG.
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Document 44. Argos P, Rossmann MG,
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Document Page 527 function. Iterati
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Document 17. Zuckermann RN, Martin
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Document 21 Structure-Based Combina
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Document Figure 8 Minimized structu
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Document Page 555 N-acylpyrrolidine
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Document 10. Bobbyer DNA, Goodford
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Document structure. 2. Ligand probe
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Document 30. O'Shea EK, Rutkowski R
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Document 22 Peptidomimetic and Nonp
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Document Figure 1 Examples of nativ
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Document B. Peptidomimetic Drugs: C
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Document Figure 4 Backbone amide bo
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Document 12640-0567a.gif Figure 6 C
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Document Figure 22 Protease 3D stru
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Document Figure 32 PTP and PTB 3D s
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Document Acknowledgments Page 620 I
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Document 18. Sawyer TK. In: Peptide
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Document Page 622 Fukuroda T, Fukam
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Document Page 623 53. Bird J, Harpe
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Document 78. Rodriguez M, Crosby R,
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Document MA, Welch KM, Hallak H, Ta
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Document 97; (e) Fujii I, Nakamura
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Document Med Biol 1991; 306:9-21; (
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Document Page 629 ML, Clare M, Decr
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Document Page 630 177. (a) Bode W,
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Document Page 631 197. Musil D, Zuc
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Document son AH, Drummond AH, Huxle
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Document 236. (a) Marshall MS. TIBS
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Document 274. (a) Kavanaugh WM, Wil
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Document site, 52, 55, 61 triad, 24
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Document factors, 247 Combination t
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Document Cyclotheonamide A (CtA), 2
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Document D ddI, 152 tumour necrosis
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Document antistasin peptides, 281 c
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Document fragment-based programs, 5
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Document [Human immunodeficiency vi
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Document overview, 103-104, 108-109
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Document [Inhibitors] 2-((3,4-dihyd
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Document antagonistic activity, 416
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Document Kininogen, 119 high molecu
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Document Matrix-metalloproteinase (
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Document RT inhibitor, 41, 56 Nonpe
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Document Phosphoglycerate kinase (P
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Document [Protease targets] serinyl
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