Amy C Anderson

Summary

Affiliation: Dartmouth Medical School
Country: USA

Publications

  1. ncbi request reprint The process of structure-based drug design
    Amy C Anderson
    Dartmouth College, Department of Chemistry, Burke Laboratories, Hanover, NH 03755, USA
    Chem Biol 10:787-97. 2003
  2. pmc Two crystal structures of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveal protein-ligand interactions including a structural basis for observed antifolate resistance
    Amy C Anderson
    Department of Chemistry, Dartmouth College, Hanover, NH 03755, USA
    Acta Crystallogr Sect F Struct Biol Cryst Commun 61:258-62. 2005
  3. ncbi request reprint Towards in silico lead optimization: scores from ensembles of protein/ligand conformations reliably correlate with biological activity
    Veljko M Popov
    Department of Chemistry, Dartmouth College, Hanover, New Hampshire 03755, USA
    Proteins 66:375-87. 2007
  4. ncbi request reprint Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking
    A C Anderson
    Department of Biochemistry and Biophysics, University of California at San Francisco, Box 0448, 94143 0448, USA
    Chem Biol 8:445-57. 2001
  5. ncbi request reprint Targeting DHFR in parasitic protozoa
    Amy C Anderson
    Department of Chemistry, Dartmouth College, Hanover, NH 03755, USA
    Drug Discov Today 10:121-8. 2005
  6. ncbi request reprint The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition
    Janet 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
  7. ncbi request reprint Highly efficient ligands for dihydrofolate reductase from Cryptosporidium hominis and Toxoplasma gondii inspired by structural analysis
    Phillip M Pelphrey
    Department of Chemistry, Dartmouth College, Hanover, New Hampshire 03755, USA
    J Med Chem 50:940-50. 2007
  8. ncbi request reprint Redesigning the PheA domain of gramicidin synthetase leads to a new understanding of the enzyme's mechanism and selectivity
    Brian W Stevens
    Department of Biochemistry, Dartmouth Medical School, Hanover, New Hampshire 03755, USA
    Biochemistry 45:15495-504. 2006
  9. ncbi request reprint The crystal structure of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveals a novel architecture for the bifunctional enzyme
    Robert H O'Neil
    Department of Chemistry, Dartmouth College, Burke Laboratories, Hanover, NH 03755, USA
    J Eukaryot Microbiol 50:555-6. 2003
  10. ncbi request reprint A subgroup algorithm to identify cross-rotation peaks consistent with non-crystallographic symmetry
    Ryan H Lilien
    Dartmouth Computer Science Department, Hanover, NH 03755, USA
    Acta Crystallogr D Biol Crystallogr 60:1057-67. 2004

Collaborators

  • Robert Stroud
  • Chris Bailey-Kellogg
  • Robin D Couch
  • Tadashi Honda
  • Jie Han
  • Stefania Ferrari
  • Karen T Liby
  • M P Costi
  • Michael Sporn
  • Ryan H Lilien
  • Veljko M Popov
  • Robert H O'Neil
  • Bruce R Donald
  • Dennis L Wright
  • Tammy M Joska
  • Brian W Stevens
  • Jieying Liu
  • Marisa L Blauvelt
  • Phillip M Pelphrey
  • W Atom Yee
  • Yale A Fillingham
  • Janet S Finer-Moore
  • Alexia A Belperron
  • Janet Paulsen
  • Weonjoo Jaung
  • David B Bolstad
  • Nigel D Priestley
  • S Brian Wilson
  • Maryam Khalili
  • Adrienne E Smith
  • Amy R Howell
  • Erin S D Bolstad
  • Jennifer M Beierlein
  • Ivelin Georgiev
  • David C M Chan
  • Jolanta Krucinski
  • David J Bzik
  • Barbara A Fox
  • Kimberly A W Peaslee
  • Toshihiro Horii

Detail Information

Publications20

  1. ncbi request reprint The process of structure-based drug design
    Amy 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...
  2. pmc Two crystal structures of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveal protein-ligand interactions including a structural basis for observed antifolate resistance
    Amy 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...
  3. ncbi request reprint Towards in silico lead optimization: scores from ensembles of protein/ligand conformations reliably correlate with biological activity
    Veljko 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...
  4. ncbi request reprint Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking
    A C Anderson
    Department of Biochemistry and Biophysics, University of California at San Francisco, Box 0448, 94143 0448, USA
    Chem Biol 8:445-57. 2001
    ....
  5. ncbi request reprint Targeting DHFR in parasitic protozoa
    Amy 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...
  6. ncbi request reprint The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition
    Janet 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...
  7. ncbi request reprint Highly efficient ligands for dihydrofolate reductase from Cryptosporidium hominis and Toxoplasma gondii inspired by structural analysis
    Phillip 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...
  8. ncbi request reprint Redesigning the PheA domain of gramicidin synthetase leads to a new understanding of the enzyme's mechanism and selectivity
    Brian W Stevens
    Department of Biochemistry, Dartmouth Medical School, Hanover, New Hampshire 03755, USA
    Biochemistry 45:15495-504. 2006
    ....
  9. ncbi request reprint The crystal structure of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveals a novel architecture for the bifunctional enzyme
    Robert H O'Neil
    Department of Chemistry, Dartmouth College, Burke Laboratories, Hanover, NH 03755, USA
    J Eukaryot Microbiol 50:555-6. 2003
  10. ncbi request reprint A subgroup algorithm to identify cross-rotation peaks consistent with non-crystallographic symmetry
    Ryan 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...
  11. ncbi request reprint Analysis of complexes of inhibitors with Cryptosporidium hominis DHFR leads to a new trimethoprim derivative
    Veljko 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...
  12. ncbi request reprint 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 enzyme
    Ryan 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...
  13. ncbi request reprint Studies on the reactivity of CDDO, a promising new chemopreventive and chemotherapeutic agent: implications for a molecular mechanism of action
    Robin 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...
  14. ncbi request reprint Phylogenetic classification of protozoa based on the structure of the linker domain in the bifunctional enzyme, dihydrofolate reductase-thymidylate synthase
    Robert H O'Neil
    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...
  15. pmc Alpha-S-GalCer: synthesis and evaluation for iNKT cell stimulation
    Marisa 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...
  16. ncbi request reprint 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 targets
    Tadashi 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...
  17. pmc Structure-activity relationships of Bacillus cereus and Bacillus anthracis dihydrofolate reductase: toward the identification of new potent drug leads
    Tammy 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...
  18. ncbi request reprint Toxoplasma gondii: generation of novel truncation mutations in the linker domain of dihydrofolate reductase-thymidylate synthase
    Alexia A Belperron
    Department of Microbiology and Immunology, Dartmouth Medical School, Lebanon, NH 03756, USA
    Exp Parasitol 106:179-82. 2004
  19. pmc Structure-guided development of efficacious antifungal agents targeting Candida glabrata dihydrofolate reductase
    Jieying 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...
  20. ncbi request reprint 2-cyano-3,12-dioxooleana-1,9(11)-diene-28-oic acid disrupts microtubule polymerization: a possible mechanism contributing to apoptosis
    Robin 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...