Structure-based drug design: progress, results and challenges.
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[1] N. Cohen,et al. The NEWLEAD program: a new method for the design of candidate structures from pharmacophoric hypotheses. , 1993, Journal of medicinal chemistry.
[2] James W. Pflugrath. Developments in X-ray detectors , 1992 .
[3] Owen Johnson,et al. The development of versions 3 and 4 of the Cambridge Structural Database System , 1991, J. Chem. Inf. Comput. Sci..
[4] L. Caliguiri,et al. Effect of arildone on modifications of poliovirus in vitro. , 1980, Virology.
[5] R. Hoess,et al. Phage display of peptides and protein domains , 1993 .
[6] A. Tulinsky,et al. Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors. , 1994, Biochemistry.
[7] M. Murcko,et al. GroupBuild: a fragment-based method for de novo drug design. , 1993, Journal of medicinal chemistry.
[8] H. Neu,et al. The Crisis in Antibiotic Resistance , 1992, Science.
[9] A Itai,et al. Confirmation of usefulness of a structure construction program based on three-dimensional receptor structure for rational lead generation. , 1993, Journal of medicinal chemistry.
[10] S E Ealick,et al. Structure-based design of inhibitors of purine nucleoside phosphorylase. 3. 9-Arylmethyl derivatives of 9-deazaguanine substituted on the methylene group. , 1993, Journal of medicinal chemistry.
[11] D. Matthews,et al. Design of thymidylate synthase inhibitors using protein crystal structures: the synthesis and biological evaluation of a novel class of 5-substituted quinazolinones. , 1993, Journal of medicinal chemistry.
[12] R Weiss. On the track of "killer" TB. , 1992, Science.
[13] D. Banner,et al. Crystal structure of the soluble human 55 kd TNF receptor-human TNFβ complex: Implications for TNF receptor activation , 1993, Cell.
[14] M. A. Saper,et al. Structure of the human class I histocompatibility antigen, HLA-A2 , 1987, Nature.
[15] C. Betzel,et al. Molecular structure of the acyl-enzyme intermediate in β-lactam hydrolysis at 1.7 Å resolution , 1992, Nature.
[16] Mark A. Murcko,et al. GenStar: A method for de novo drug design , 1993, J. Comput. Aided Mol. Des..
[17] Paul Kellam,et al. Convergent combination therapy can select viable multidrug-resistant HIV-1 in vitro , 1993, Nature.
[18] Michael Famulok,et al. In Vitro Selection of Specific Ligand‐binding Nucleic Acids , 1992 .
[19] D. Wiley,et al. Three-dimensional structure of the human class II histocompatibility antigen HLA-DR1 , 1993, Nature.
[20] William Fisanick,et al. Experimental system for similarity and 3D searching of CAS registry substances. 1. 3D substructure searching , 1993, J. Chem. Inf. Comput. Sci..
[21] A. Tulinsky,et al. The structure of alpha-thrombin inhibited by a 15-mer single-stranded DNA aptamer. , 1994, The Journal of biological chemistry.
[22] P. Loll,et al. The X-ray crystal structure of the membrane protein prostaglandin H2 synthase-1 , 1994, Nature.
[23] C. Wilson,et al. Amplification of a gene related to mammalian mdr genes in drug-resistant Plasmodium falciparum. , 1989, Science.
[24] I. Campbell,et al. NMR at very high fields. , 1994, Structure.
[25] Dagmar Ringe,et al. Analogous inhibitors of elastase do not always bind analogously , 1994, Nature Structural Biology.
[26] N. W. Murrall,et al. Conformational freedom in 3-D databases. 1. Techniques , 1990, J. Chem. Inf. Comput. Sci..
[27] Valerie J. Gillet,et al. SPROUT: A program for structure generation , 1993, J. Comput. Aided Mol. Des..
[28] Richard A. Lewis,et al. Automated site-directed drug design : the formation of molecular templates in primary structure generation , 1989, Proceedings of the Royal Society of London. B. Biological Sciences.
[29] J. Endicott,et al. The biochemistry of P-glycoprotein-mediated multidrug resistance. , 1989, Annual review of biochemistry.
[30] M. Ultsch,et al. Human growth hormone and extracellular domain of its receptor: crystal structure of the complex. , 1992, Science.
[31] I. Kuntz,et al. Automated docking with grid‐based energy evaluation , 1992 .
[32] I. Kuntz. Structure-Based Strategies for Drug Design and Discovery , 1992, Science.
[33] A. Leach,et al. Ligand docking to proteins with discrete side-chain flexibility. , 1994, Journal of molecular biology.
[34] David A. Matthews,et al. Structure of and kinetic channelling in bifunctional dihydrofolate reductase–thymidylate synthase , 1994, Nature Structural Biology.
[35] Randy J. Read,et al. A multiple‐start Monte Carlo docking method , 1992 .
[36] E. Keith Davies,et al. Conformational Freedom in 3-D Databases , 1993 .
[37] C. Walsh,et al. Vancomycin resistance: decoding the molecular logic. , 1993, Science.
[38] D. M. Ryan,et al. Rational design of potent sialidase-based inhibitors of influenza virus replication , 1993, Nature.
[39] David A. Pearlman,et al. CONCEPTS: New dynamic algorithm for de novo drug suggestion , 1993, J. Comput. Chem..
[40] Steven E. Ealick,et al. Synchrotron beamlines for macromolecular crystallography , 1993 .
[41] D. Goodsell,et al. Automated docking of substrates to proteins by simulated annealing , 1990, Proteins.
[42] Gebhard F. X. Schertler,et al. Overproduction of membrane proteins , 1992 .
[43] Christopher J. L. Murray,et al. Tuberculosis: Commentary on a Reemergent Killer , 1992, Science.
[44] M. Lawrence,et al. CLIX: A search algorithm for finding novel ligands capable of binding proteins of known three‐dimensional structure , 1992, Proteins.
[45] A. Pardi,et al. Isotope labelling for NMR studies of biomolecules , 1992 .
[46] Patricia C. Weber,et al. Crystal structure and ligand-binding studies of a screened peptide complexed with streptavidin. , 1992 .
[47] Paul A. Bartlett,et al. Caveat a program to facilitate the structure derived design of biologically active molecules , 1989 .
[48] PatrickY.-S. Lam,et al. Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors. , 1994, Science.
[49] Y. Martin,et al. 3D database searching in drug design. , 1992, Journal of medicinal chemistry.
[50] S E Ealick,et al. Structure-based design of inhibitors of purine nucleoside phosphorylase. , 1995, Acta crystallographica. Section D, Biological crystallography.
[51] M Kahn,et al. Peptide mimetics of the thrombin-bound structure of fibrinopeptide A. , 1992, Proceedings of the National Academy of Sciences of the United States of America.
[52] Peter A. Kollman,et al. Theory of macromolecule-ligand interactions , 1994 .
[53] Yvonne C. Martin,et al. ALADDIN: An integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures , 1989, J. Comput. Aided Mol. Des..
[54] M. Noble,et al. The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes , 1991, Proteins.
[55] P. Goodford. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules. , 1985, Journal of medicinal chemistry.
[56] L. Kuyper,et al. Receptor-based design of dihydrofolate reductase inhibitors: comparison of crystallographically determined enzyme binding with enzyme affinity in a series of carboxy-substituted trimethoprim analogues. , 1982, Journal of medicinal chemistry.
[57] Gareth Jones,et al. Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching , 1994, J. Chem. Inf. Comput. Sci..
[58] Keith D. Watenpaugh,et al. Macromolecular crystallography at cryogenic temperatures: Current Opinion in Structural Biology 1991, 1: 1012–1015 , 1991 .
[59] C L Verlinde,et al. Structure of the complex between trypanosomal triosephosphate isomerase and N‐hydroxy‐4‐phosphono‐butanamide: Binding at the active site despite an “open” flexible loop conformation , 1992, Protein science : a publication of the Protein Society.
[60] Edward D. T. Atkins. Macromolecular Structures 1991 , 1993 .
[61] F E Cohen,et al. Structure-based inhibitor design by using protein models for the development of antiparasitic agents. , 1993, Proceedings of the National Academy of Sciences of the United States of America.
[62] N. Xuong,et al. Dihydrofolate reductase from Lactobacillus casei. X-ray structure of the enzyme methotrexate.NADPH complex. , 1978, Journal of Biological Chemistry.
[63] David J. Derosier. Turn-of-the-century electron microscopy , 1993, Current Biology.
[64] M S Chapman,et al. A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A. , 1994, Journal of molecular biology.
[65] M. Karplus,et al. Functionality maps of binding sites: A multiple copy simultaneous search method , 1991, Proteins.
[66] Ronald N. Zuckermann,et al. The chemical synthesis of peptidomimetic libraries: Current opinion in structural biology 1993, 3:580–584 , 1993 .
[67] A. Petros,et al. Three-dimensional structure of the FK506 binding protein/ascomycin complex in solution by heteronuclear three- and four-dimensional NMR. , 1993, Biochemistry.
[68] Wim G. J. Hol,et al. PROTEIN CRYSTALLOGRAPHY AND COMPUTER-GRAPHICS TOWARD RATIONAL DRUG DESIGN , 1986 .
[69] W. Howe,et al. Computer design of bioactive molecules: A method for receptor‐based de novo ligand design , 1991, Proteins.
[70] S. P. Fodor,et al. Applications of combinatorial technologies to drug discovery. 1. Background and peptide combinatorial libraries. , 1994, Journal of medicinal chemistry.
[71] Jan Hermans. An editorial comment: The limits of simulations , 1993 .
[72] Richard A. Lewis,et al. Automated site-directed drug design: the concept of spacer skeletons for primary structure generation , 1989, Proceedings of the Royal Society of London. B. Biological Sciences.
[73] J M Blaney,et al. A geometric approach to macromolecule-ligand interactions. , 1982, Journal of molecular biology.
[74] Chris M. W. Ho,et al. FOUNDATION: A program to retrieve all possible structures containing a user-defined minimum number of matching query elements from three-dimensional databases , 1993, J. Comput. Aided Mol. Des..
[75] Hans-Joachim Böhm,et al. The computer program LUDI: A new method for the de novo design of enzyme inhibitors , 1992, J. Comput. Aided Mol. Des..
[76] Barry A. Bunin,et al. A general and expedient method for the solid-phase synthesis of 1,4-benzodiazepine derivatives , 1992 .