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Document 21. Kick EK, Ellman JA. Expedient method for the solid-phase synthesis of aspartic acid protease inhibitors directed towards the generation of libraries. J Med Chem 1995; 38:1427–1430. Page 539 22. Campbell DA, Bermak JC, Burkoth TS, Patel DV. A transition state analog inhibitor combinatorial library. J Amer Chem Soc 1995; 117:5381–5382. 23. Kuntz ID, Meng EC, Shoichet BK. Structure-based molecular design. Acc Chem Res 1994; 27:117–123. 24. Bohm H-J. LUDI: Rule-based automatic design of new substituents for enzyme inhibitor leads. Journal of Computer-Aided Molecular Design 1992; 6:593–606. 25. Bohm H-J. The computer program LUDI: A new method for the de novo design of enzyme inhibitors. Journal of Computer-Aided Molecular Design 1992; 6:61–78. 26. Martin EJ, Blaney JM, Siani M, Spellmeyer DC, Wong AK, Moos WH. Measuring diversity: experimental design of combinatorial libraries for drug discovery. J Med Chem 1995; 38:1431–1436. 27. Sullivan M. Mass Screening: a new approach to chemical discovery. Today's Chemist at Work 1994;September:19–26. 28. Agrafiotis DK, Bone RF, Salemme FR, Soll RM. A system and method of automatically generating chemical compounds with desired properties. US Patent 5463564, October 31, 1995. 29. Hildalgo IJ, Raub TJ, Borchardt RT. Characterization of the human colon carcinoma cell line (Caco- 2) as a model system for intestinal epithelial permeability. Gastroenterology 1989; 96:736–749. 30. Gan L-S, Eads C, Niederer T, Bridgers A, Yanni S, Hsyu P-H, Pritchard FJ, Thakker D. Use of Caco- 2 cells as an in vitro intestinal absorption and metabolism model. Drug Development and Industrial Pharmacy 1994; 20:615–631. 31. Conradi RA, Hilgers AR, Ho NFH, Burton PS. The influence of peptide structure on transport across Caco-2 cells. Pharmaceutical Research 1991; 8:1453–1460. 32. Pidgeon C, Ong S, Liu H, Qiu X, Pidgeon M, Dantzig AH, Munroe J, Hornback WJ, Kasher JS, Glunx L, Szczerba T. IAM chromatography: an in vitro screen for predicting drug membrane permeability. J Med Chem 1995; 38:590–594. 33. Grundermann D, Gorboulev V, Gambaryan S, Veyhl M, Koepsell H. Drug excretion mediated by a new prototype of polyspecific transporter. Nature 1994; 372:549–552. http://legacy.netlibrary.com/nlreader/nlReader.dll?bookid=12640&filename=Page_539.html (1 of 2) [4/9/2004 12:50:46 AM]
Document 34. Fei Y-J, Kanai Y, Nussberger S, Ganapathy V, Leibach FH, Romero MF, Singh SK, Boron WF, Hediger MA. Expression and cloning of a mammalian proton-coupled oligopeptide transporter. Nature 1994; 368:563–566. http://legacy.netlibrary.com/nlreader/nlReader.dll?bookid=12640&filename=Page_539.html (2 of 2) [4/9/2004 12:50:46 AM] 35. Agrafiotis DK, Bone R, Jaeger EP, Rhind AW, Salemme FR, Soll RM. Directed Diversity®: a new paradigm for drug discovery. 1996; in preparation.
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Structure-based Drug Design 14 Stru
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Document 74. Reddy RM, Varney MD, K
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Document 2 Structural Studies of HI
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Document Analysis of various HIV-1
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Document Page 54 Table 2) [12,54].
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Document Table 3 HIV-1 RT Amino Aci
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Document Page 67 Biochemical data s
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Document 106. Cirino NM, Cameron CE
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Document 122. Marshall WS, Beaton G
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Document dine) and didanosine (dide
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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 cubation of phosphotyrosin
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Document 4 Bradykinin Receptor Anta
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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 Figure 6 Rat and human B2
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Document Page 141 receptor with int
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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 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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Document 29. Baker ME. Genealogy of
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Document protein kinase core is ess
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Document Figure 13 The identified p
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Document 39. Saurat JH, Schfferli J
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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 462 strains of influe
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Document Figure 3 (a) A MOLSCRIPT [
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Document B. Protein Structure Page
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Document Page 471 molecules in the
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Document hydroxy, and 6 Neu5Ac2en -
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Document Page 476 nM, respectively.
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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 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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Page 639 and 640: Document conformational transition
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Page 673 and 674: Document 21 Structure-Based Combina
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Page 677 and 678: Document Page 545 protein binding s
Page 679 and 680: Document Figure 2 Stereo view of th
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Page 685 and 686: Document Lists of Bonding Fragment
Page 687 and 688: Document Figure 8 Minimized structu
Page 689 and 690: Document Page 555 N-acylpyrrolidine
Page 691 and 692: Document 10. Bobbyer DNA, Goodford
Page 693 and 694: Document structure. 2. Ligand probe
Page 695 and 696: Document 30. O'Shea EK, Rutkowski R
Page 697 and 698: Document 22 Peptidomimetic and Nonp
Page 699 and 700: Document Figure 1 Examples of nativ
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Page 703 and 704: Document Figure 4 Backbone amide bo
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Page 707 and 708: Document Page 569 molecule. A nonco
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Document Figure 22 Protease 3D stru
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Document Page 603 hydroxymethyl sub
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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 Page 626 SJ, Ogden RC, Red
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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 replacements, 563-565 1-am
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Document inhibitor binding, 323, 33
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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 [Interleukin-1] homology w
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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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