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  1. 1.   Design, synthesis and biological evaluation of hybrid nitroxide-based non-steroidal anti-inflammatory drugs
  2. Thomas, Komba; Moody, Terry; Jensen, Robert; Tong, Jason; Rayner, Cassie L; Barnett, Nigel L; Fairfull-Smith, Kathryn E; Ridnour, Lisa; Wink, David; Bottle, Steven E
  3. European journal of medicinal chemistry. 2018, Mar 10; 147: 34-47.
  1. 2.   Software and resources for computational medicinal chemistry
  2. Liao, C. Z.; Sitzmann, M.; Pugliese, A.; Nicklaus, M. C.
  3. Future Medicinal Chemistry. 2011, Jun; 3(8): 1057-1085.
  1. 3.   A Chemotype That Inhibits Three Unrelated Pathogenic Targets: The Botulinum Neurotoxin Serotype A Light Chain, P. falciparum Malaria, and the Ebola Filovirus
  2. Opsenica, I.; Burnett, J. C.; Gussio, R.; Opsenica, D.; Todorovic, N.; Lanteri, C. A.; Sciotti, R. J.; Gettayacamin, M.; Basilico, N.; Taramelli, D.; Nuss, J. E.; Wanner, L.; Panchal, R. G.; Solaja, B. A.; Bavari, S.
  3. Journal of Medicinal Chemistry. 2011, Mar; 54(5): 1157-1169.
  1. 4.   The Assembly-Inducing Laulimalide/Peloruside A Binding Site on Tubulin: Molecular Modeling and Biochemical Studies with [H-3]Peloruside A
  2. Nguyen, T. L.; Xu, X. M.; Gussio, R.; Ghosh, A. K.; Hamel, E.
  3. Journal of Chemical Information and Modeling. 2010, Nov; 50(11): 2019-2028.
  1. 5.   Pharmacophore Refinement Guides the Design of Nanomolar-Range Botulinum Neurotoxin Serotype A Light Chain Inhibitors
  2. Nuss, J. E.; Dong, Y. X.; Wanner, L. M.; Ruthel, G.; Wipf, P.; Gussio, R.; Vennerstrom, J. L.; Bavari, S.; Burnett, J. C.
  3. Acs Medicinal Chemistry Letters. 2010, Oct; 1(7): 301-305.
  1. 6.   Computer tools in the discovery of HIV-1 integrase inhibitors
  2. Liao, C. Z.; Nicklaus, M. C.
  3. Future Medicinal Chemistry. 2010, Jul; 2(7): 1123-1140.
  1. 7.   Stereoselective binding of chiral ligands to single nucleotide polymorphisms of the human organic cation transporter-1 determined using cellular membrane affinity chromatography
  2. Moaddel, R.; Bighi, F.; Yamaguchi, R.; Patel, S.; Ravichandran, S.; Wainer, I. W.
  3. Analytical Biochemistry. 2010, Jun; 401(1): 148-153.
  1. 8.   Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons
  2. Burnett, J. C.; Ruthel, G.; Stegmann, C. M.; Panchal, R. G.; Nguyen, T. L.; Hermone, A. R.; Stafford, R. G.; Lane, D. J.; Kenny, T. A.; McGrath, C. F.; Wipf, P.; Stahl, A. M.; Schmidt, J. J.; Gussio, R.; Brunger, A. T.; Bavari, S.
  3. Journal of Biological Chemistry. 2007, Feb; 282(7): 5004-5014.
  1. 9.   Comparison of the activities of the truncated halichondrin B analog NSC 707389 (E7389) with those of the parent compound and a proposed binding site on tubulin
  2. Dabydeen, D. A.; Burnett, J. C.; Bai, R. L.; Verdier-Pinard, P.; Hickford, S. J. H.; Pettit, G. R.; Blunt, J. W.; Munro, M. H. G.; Gussio, R.; Hamel, E.
  3. Molecular Pharmacology. 2006, Dec; 70(6): 1866-1875.
  1. 10.   Homology model of RSK2 N-terminal kinase domain, structure-based identification of novel RSK2 inhibitors, and preliminary common pharmacophore
  2. Nguyen, T. L.; Gussio, R.; Smith, J. A.; Lannigan, D. A.; Hecht, S. M.; Scudiero, D. A.; Shoemaker, R. H.; Zaharevitz, D. W.
  3. Bioorganic & Medicinal Chemistry. 2006, Sep; 14(17): 6097-6105.
  1. 11.   New arylthioindoles: Potent inhibitors of tubulin polymerization. 2. Structure-activity relationships and molecular modeling studies
  2. De Martino, G.; Edler, M. C.; La Regina, G.; Coluccia, A.; Barbera, M. C.; Barrow, D.; Nicholson, R. I.; Chiosis, G.; Brancale, A.; Hamel, E.; Artico, M.; Silvestri, R.
  3. Journal of Medicinal Chemistry. 2006, FEB 9; 49(3): 947-954.
  1. 12.   A common pharmacophore for a diverse set of colchicine site inhibitors using a structure-based approach
  2. Nguyen, T. L.; McGrath, C.; Hermone, A. R.; Burnett, J. C.; Zaharevitz, D. W.; Day, B. W.; Wipf, P.; Hamel, E.; Gussio, R.
  3. Journal of Medicinal Chemistry. 2005, SEP 22; 48(19): 6107-6116.
  1. 13.   Dolastatin 11 conformations, analogues and pharmacophore
  2. Ali, M. A.; Bates, R. B.; Crane, Z. D.; Dicus, C. W.; Gramme, M. R.; Hamel, E.; Marcischak, J.; Martinez, D. S.; McClure, K. J.; Nakkiew, P.; Pettit, G. R.; Stessman, C. C.; Sufi, B. A.; Yarick, G. V.
  3. Bioorganic & Medicinal Chemistry. 2005, JUL 1; 13(13): 4138-4152.
  1. 14.   Elucidation of thioredoxin as a molecular target for antitumor quinols
  2. Bradshaw, T. D.; Matthews, C. S.; Cookson, J.; Chew, E. H.; Shah, M.; Bailey, K.; Monks, A.; Harris, E.; Westwell, A. D.; Wells, G.; Laughton, C. A.; Stevens, M. F. G.
  3. Cancer Research. 2005, MAY 1; 65(9): 3911-3919.
  1. 15.   Biodiversity: A continuing source of novel drug leads
  2. Cragg, G. M.; Newman, D. J.
  3. Pure and Applied Chemistry. 2005, JAN; 77(1): 7-24.
  1. 16.   Conformationally constrained analogues of diacylglycerol (DAG). 23. Hydrophobic ligand-protein interactions versus ligand-lipid interactions of DAG-lactones with protein kinase C (PK-C)
  2. Tamamura, H.; Sigano, D. M.; Lewin, N. E.; Peach, M. L.; Nicklaus, M. C.; Blumberg, P. M.; Marquez, V. E.
  3. Journal of Medicinal Chemistry. 2004, SEP 23; 47(20): 4858-4864.
  1. 17.   Predicting molecular interactions in silico: I. A guide to pharmacophore identification and its applications to drug design
  2. Dror, O.; Shulman-Peleg, A.; Nussinov, R.; Wolfson, H. J.
  3. Current Medicinal Chemistry. 2004 11(1): 71-90.
  1. 18.   Conformationally constrained analogues of diacylglycerol. 20. The search for an elusive binding site on protein kinase C through relocation of the carbonyl pharmacophore along the sn-1 side chain of 1,2-diacylglycerol lactones
  2. Tamamura, H.; Sigano, D. M.; Lewin, N. E.; Blumberg, P. M.; Marquez, V. E.
  3. Journal of Medicinal Chemistry. 2004 47(3): 644-655.
  1. 19.   Recognition of functional sites in protein structures
  2. Shulman-Peleg, A.; Nussinov, R.; Wolfson, H. J.
  3. Journal of Molecular Biology. 2004 339(3): 607-633.
  1. 20.   Novel small molecule inhibitors of botulinum neurotoxin A metalloprotease activity
  2. Burnett, J. C.; Schmidt, J. J.; Stafford, R. G.; Panchal, R. G.; Nguyen, T. L.; Hermone, A. R.; Vennerstrom, J. L.; McGrath, C. F.; Lane, D. J.; Sausville, E. A.; Zaharevitz, D. W.; Gussio, R.; Bavari, S.
  3. Biochemical and Biophysical Research Communications. 2003 310(1): 84-93.
  1. 21.   Synthesis and biological evaluation of a spongistatin AB- spiroketal analogue
  2. Smith, A. B.; Corbett, R. M.; Pettit, G. R.; Chapuis, J. C.; Schmidt, J. M.; Hamel, E.; Jung, M. K.
  3. Bioorganic & Medicinal Chemistry Letters. 2002 12(15): 2039-2042.
  1. 22.   Medicinals for the millennia - The historical record
  2. Cragg, G. M.; Newman, D. J.
  3. New Vistas in Therapeutics, from Drug Design to Gene Therapy: Drug-Resistant Tuberculosis, from Molecules to Macro-Economics. 2001; 953 : 3-25.
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