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Genomes and Genes | Amy C AndersonSummaryAffiliation: Dartmouth Medical School Country: USA Publications
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Publications
The process of structure-based drug designAmy C Anderson
Dartmouth College, Department of Chemistry, Burke Laboratories, Hanover, NH 03755, USA
Chem Biol 10:787-97. 2003..Key principles in the field of structure-based drug design will be illustrated through a case study that explores drug design for AmpC beta-lactamase...
Two crystal structures of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveal protein-ligand interactions including a structural basis for observed antifolate resistanceAmy C Anderson
Department of Chemistry, Dartmouth College, Hanover, NH 03755, USA
Acta Crystallogr Sect F Struct Biol Cryst Commun 61:258-62. 2005..hominis DHFR provide a possible structural basis for the observed antifolate resistance. A comparison with the structure of human DHFR reveals active-site differences that may be exploited for the design of species-selective inhibitors...- Towards in silico lead optimization: scores from ensembles of protein/ligand conformations reliably correlate with biological activityVeljko M Popov
Department of Chemistry, Dartmouth College, Hanover, New Hampshire 03755, USA
Proteins 66:375-87. 2007..These docking principles may be useful in any lead optimization study where accurate ranking of similar compounds is desired... - Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand dockingA C Anderson
Department of Biochemistry and Biophysics, University of California at San Francisco, Box 0448, 94143 0448, USA
Chem Biol 8:445-57. 2001.... - Targeting DHFR in parasitic protozoaAmy C Anderson
Department of Chemistry, Dartmouth College, Hanover, NH 03755, USA
Drug Discov Today 10:121-8. 2005..Novel DHFR inhibitors, designed using the recently revealed crystal structures of the enzymes from two parasitic protozoa, are in development... - The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibitionJanet S Finer-Moore
Department of Biochemistry and Biophysics, University of California, San Francisco, 600 16th Street, Room S412B, San Francisco, CA 94143 2240, USA
Acta Crystallogr D Biol Crystallogr 61:1320-34. 2005..These observations highlight the critical need to incorporate multiple target conformations in any computational attempt to facilitate drug discovery... - Highly efficient ligands for dihydrofolate reductase from Cryptosporidium hominis and Toxoplasma gondii inspired by structural analysisPhillip M Pelphrey
Department of Chemistry, Dartmouth College, Hanover, New Hampshire 03755, USA
J Med Chem 50:940-50. 2007..gondii) relative to trimethoprim were generated by synthesizing just 14 new analogues and by adding only a total of 52 Da to the mass of the parent compound, creating an efficient ligand as an excellent candidate for further study... - Redesigning the PheA domain of gramicidin synthetase leads to a new understanding of the enzyme's mechanism and selectivityBrian W Stevens
Department of Biochemistry, Dartmouth Medical School, Hanover, New Hampshire 03755, USA
Biochemistry 45:15495-504. 2006.... - A subgroup algorithm to identify cross-rotation peaks consistent with non-crystallographic symmetryRyan H Lilien
Dartmouth Computer Science Department, Hanover, NH 03755, USA
Acta Crystallogr D Biol Crystallogr 60:1057-67. 2004..The CRANS algorithm has application in every molecular-replacement phasing effort with proper NCS... - A novel ensemble-based scoring and search algorithm for protein redesign and its application to modify the substrate specificity of the gramicidin synthetase a phenylalanine adenylation enzymeRyan H Lilien
Computer Science Department, Dartmouth College, Hanover, NH 03755, USA
J Comput Biol 12:740-61. 2005..Our ensemble-based algorithm, which flexibly models both protein and ligand using rotamer-based partition functions, has application in enzyme redesign, the prediction of protein-ligand binding, and computer-aided drug design... - The crystal structure of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveals a novel architecture for the bifunctional enzymeRyan H Lilien
Department of Chemistry, Dartmouth College, Burke Laboratories, Hanover, NH 03755, USA
J Eukaryot Microbiol 50:555-6. 2003 - Analysis of complexes of inhibitors with Cryptosporidium hominis DHFR leads to a new trimethoprim derivativeVeljko M Popov
Department of Chemistry, Dartmouth College, Hanover, NH 03755, USA
Bioorg Med Chem Lett 16:4366-70. 2006..A series of C7-trimethoprim derivatives, designed to exploit a unique pocket in ChDHFR, was synthesized and evaluated; 7-ethyl TMP has four times higher activity than TMP against ChDHFR... - Studies on the reactivity of CDDO, a promising new chemopreventive and chemotherapeutic agent: implications for a molecular mechanism of actionRobin D Couch
Department of Chemistry, Dartmouth College, Hanover, NH 03755, USA
Bioorg Med Chem Lett 15:2215-9. 2005..Spectroscopic evaluation with thiol nucleophiles illustrates that an addition does indeed occur, but this addition is selective and reversible... - Phylogenetic classification of protozoa based on the structure of the linker domain in the bifunctional enzyme, dihydrofolate reductase-thymidylate synthaseRyan H Lilien
Department of Chemistry, Dartmouth College, Hanover, New Hampshire 03755, USA
J Biol Chem 278:52980-7. 2003..Furthermore, the structure of C. hominis DHFR-TS calls into question surface electrostatic channeling as the universal means of dihydrofolate transport between TS and DHFR in the bifunctional enzyme... - Alpha-S-GalCer: synthesis and evaluation for iNKT cell stimulationMarisa L Blauvelt
Department of Chemistry, University of Connecticut, 55 N Eagleville Road, Storrs, CT 06269 3060, USA
Bioorg Med Chem Lett 18:6374-6. 2008..Prepared by alkylation of a galactosylthiol, this analog of the potent immunostimulatory agent, KRN7000, did not stimulate iNKT cells either in vitro or in vivo... - Design, synthesis, and biological evaluation of biotin conjugates of 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid for the isolation of the protein targetsTadashi Honda
Department of Chemistry, Dartmouth College, 6128 Burke Laboratory, Hanover, New Hampshire 03755, USA
J Med Chem 47:4923-32. 2004..Consequently, 6 may be a very promising tool for the isolation of the protein targets of CDDO... - Structure-activity relationships of Bacillus cereus and Bacillus anthracis dihydrofolate reductase: toward the identification of new potent drug leadsTammy M Joska
Department of Biochemistry, University of Connecticut, Storrs, CT 06269, USA
Antimicrob Agents Chemother 50:3435-43. 2006..These experiments show that DHFR is a reasonable antimicrobial target for Bacillus anthracis and that there is a class of inhibitors that possess sufficient potency and antibacterial activity to suggest further development... - Structure-guided development of efficacious antifungal agents targeting Candida glabrata dihydrofolate reductaseJieying Liu
Department of Pharmaceutical Sciences, University of Connecticut, 69 N Eagleville Road, Storrs, CT 0626, USA
Chem Biol 15:990-6. 2008..glabrata DHFR enzyme with subnanomolar potency, display greater than 2000-fold levels of selectivity over the human enzyme, and inhibit the growth of C. glabrata at levels observed with clinically employed therapeutics... - Toxoplasma gondii: generation of novel truncation mutations in the linker domain of dihydrofolate reductase-thymidylate synthaseAlexia A Belperron
Department of Microbiology and Immunology, Dartmouth Medical School, Lebanon, NH 03756, USA
Exp Parasitol 106:179-82. 2004 - 2-cyano-3,12-dioxooleana-1,9(11)-diene-28-oic acid disrupts microtubule polymerization: a possible mechanism contributing to apoptosisRobin D Couch
Department of Medicinal Chemistry, School of Pharmacy, University of Connecticut, 69 North Eagleville Rd, Storrs, CT 06269-3092, USA
Mol Pharmacol 69:1158-65. 2006..Unlike other known spindle poisons, CDDO does not result in a temporal increase in the mitotic index. Rather, CDDO seems to initiate apoptosis early in M phase...