ACCURACY;
ARTICLE;
BINDING AFFINITY;
CALCULATION;
CATALYSIS;
CELL CULTURE;
DATA ANALYSIS;
DRUG ACTIVITY;
DRUG BINDING;
DRUG CONFORMATION;
DRUG POTENCY;
DRUG STRUCTURE;
DRUG SYNTHESIS;
DRUG TARGETING;
ENERGY;
ENZYME ASSAY;
ENZYME INHIBITION;
EXPERIMENT;
GROWTH INHIBITION;
INHIBITION KINETICS;
MEASUREMENT;
MICROWAVE RADIATION;
MOLECULAR DYNAMICS;
PLASMODIUM FALCIPARUM;
PREDICTION;
PROTEIN DEGRADATION;
PROTEIN TARGETING;
REACTION ANALYSIS;
SIMULATION;
STRUCTURE ANALYSIS;
X RAY ANALYSIS;
Four Plasmepsins are Active in the Plasmodium falciparum Food Vacuole, Including a Protease with an Active-Site Histidine
Banerjee, R.; Liu, J.; Beatty, W.; Pelosof, L.; Klemba, M.; Goldberg, D. E. Four Plasmepsins are Active in the Plasmodium falciparum Food Vacuole, Including a Protease with an Active-Site Histidine. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 990-995.
Structure Inhibition of Plasmepsin a Hemoglobin-Degrading Enzyme from Plasmodium falciparum
Silva, A. M.; Lee, A. Y.; Gulnik, S. V.; Majer, P.; Collins, J.; Bhat, T. N.; Collins, P. J.; Cachau, R. E.; Luker, K. E.; Gluzman, I. Y.; Francis, S. E.; Oksman, A.; Goldberg, D. E.; Erickson, J. W. Structure and Inhibition of Plasmepsin II, a Hemoglobin-Degrading Enzyme from Plasmodium falciparum. Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 10034-10039.
Hemoglobin Metabolism in the Malaria Parasite Plasmodium falciparum
Francis, S. E.; Sullivan, D. J., Jr.; Goldberg, D. E. Hemoglobin Metabolism in the Malaria Parasite Plasmodium falciparum. Annu. Rev. Microbiol. 1997, 51, 97-123.
Expression and Characterization of Plasmepsin I from Plasmodium falciparum
Moon, R. P.; Tyas, L.; Certa, U.; Rupp, K.; Bur, D.; Jacquet, C.; Matile, H.; Loetscher, H.; Grueninger-Leitch, F.; Kay, J.; Dunn, B. M.; Berry, C.; Ridley, R. G. Expression and Characterization of Plasmepsin I from Plasmodium falciparum. Eur. J. Biochem. 1997, 244, 552-560.
Identification of Potent Inhibitors of Plasmodium falciparum Plasmepsin II from an Encoded Statine Combinatorial Library
Carroll, C. D.; Patel, H.; Johnson, T. O.; Guo, T.; Orlowski, M.; He, Z.-M.; Cavallaro, C. L.; Guo, J.; Oksman, A.; Gluzman, I. Y.; Connelly, J.; Chelsky, D.; Goldberg, D. E.; Dolle, R. E. Identification of Potent Inhibitors of Plasmodium falciparum Plasmepsin II from an Encoded Statine Combinatorial Library. Bioorg. Med. Chem. Lett. 1998, 8, 2315-2320.
Evaluation of a Structure-Based Statine Cyclic Diamino Amide Encoded Combinatorial Library Against Plasmepsin II and Cathepsin D
Carroll, C. D.; Johnson, T. O.; Tao, S.; Lauri, G.; Orlowski, M.; Gluzman, I. Y.; Goldberg, D. E.; Dolle, R. E. Evaluation of a Structure-Based Statine Cyclic Diamino Amide Encoded Combinatorial Library Against Plasmepsin II and Cathepsin D. Bioorg. Med. Chem. Lett. 1998, 8, 3203-3206.
A Statistical-Based Approach to Assessing the Fidelity of Combinatorial Libraries Encoded with Electrophoric Molecular Tags. Development and Application of Tag Decode-Assisted Single Bead LC/MS Analysis
Dolle, R. E.; Guo, J.; O'Brien, L.; Jin, Y.; Piznik, M.; Bowman, K. J.; Li, W.; Egan, W. J.; Cavallaro, C. L.; Roughton, A. L.; Zhao, W.; Reader, J. C. ; Orlowski, M.; Jacob-Samuel, B.; DiIanni Carroll, C. A Statistical-Based Approach to Assessing the Fidelity of Combinatorial Libraries Encoded with Electrophoric Molecular Tags. Development and Application of Tag Decode-Assisted Single Bead LC/MS Analysis. J. Comb. Chem. 2000, 2, 716-731.
Potent, Low-Molecular-Weight Non-Peptide Inhibitors of Malarial Aspartyl Protease Plasmepsin II
Haque, T. S.; Skillman, A. G.; Lee, C. E.; Habashita, H.; Gluzman, I. Y. ; Ewing, T. J. A.; Goldberg, D. E.; Kuntz, I. D.; Ellman, J. A. Potent, Low-Molecular-Weight Non-Peptide Inhibitors of Malarial Aspartyl Protease Plasmepsin II. J. Med. Chem. 1999, 42, 1428-1440.
New Class of Small Nonpeptidyl Compounds Blocks Plasmodium falciparum Development In Vitro by Inhibiting Plasmepsins
Jiang, S.; Prigge, S. T.; Wei, L.; Gao, Y.-E.; Hudson, T. H.; Gerena, L. ; Dame, J. B.; Kyle, D. E. New Class of Small Nonpeptidyl Compounds Blocks Plasmodium falciparum Development In Vitro by Inhibiting Plasmepsins. Antimicrob. Agents Chemother. 2001, 45, 2577-2584.
Identification Characterization of Allophenylnorstatine-Based Inhibitors of Plasmepsin an Antimalarial Target
Nezami, A.; Luque, I.; Kimura, T.; Kiso, Y.; Freire, E. Identification and Characterization of Allophenylnorstatine-Based Inhibitors of Plasmepsin II, an Antimalarial Target. Biochemistry 2002, 41, 2273-2280.
Structures of Ser205 Mutant Plasmepsin II from Plasmodium falciparum at 1.8 Å in Complex with the Inhibitors rs367 and rs370
Asojo, O. A.; Afonina, E.; Gulnik, S. V.; Yu, B.; Erickson, J. W.; Randad, R.; Medjahed, D.; Silva, A. M. Structures of Ser205 Mutant Plasmepsin II from Plasmodium falciparum at 1.8 Å in Complex with the Inhibitors rs367 and rs370. Acta Crystallogr. D 2002, D58, 2001-2008.
Design Synthesis of Plasmepsin I and Plasmepsin II Inhibitors with Activity in Plasmodium falciparum-Infected Cultured Human Erythrocytes
Nöteberg, D.; Hamelink, E.; Hultén, J.; Wahlgren, M.; Vrang, L.; Samuelsson, B.; Hallberg, A. Design and Synthesis of Plasmepsin I and Plasmepsin II Inhibitors with Activity in Plasmodium falciparum-Infected Cultured Human Erythrocytes. J. Med. Chem. 2003, 46, 734-746.
Solid-Phase Library Synthesis of Reversed-Statine Type Inhibitors of the Malarial Aspartyl Proteases Plasmepsin I and II
Dahlgren, A.; Kvarnstrom, I.; Vrang, L.; Hamelink, E.; Hallberg, A.; Rosenquist, A.; Samuelsson, B. Solid-Phase Library Synthesis of Reversed-Statine Type Inhibitors of the Malarial Aspartyl Proteases Plasmepsin I and II. Bioorg. Med. Chem. 2003, 11, 827-841.
High-Speed Optimization of Inhibitors of the Malarial Proteases Plasmepsin I and II
Nöteberg, D.; Schaal, W.; Hamelink, E.; Vrang, L.; Larhed, M. High-Speed Optimization of Inhibitors of the Malarial Proteases Plasmepsin I and II. J. Comb. Chem. 2003, 5, 456-464.
Novel Uncomplexed Complexed Structures of Plasmepsin an Aspartic Protease from Plasmodium falciparum
Asojo, O. A.; Gulnik, S. V.; Afonina, E.; Yu, B.; Ellman, J. A.; Haque, T. S.; Silva, A. M. Novel Uncomplexed and Complexed Structures of Plasmepsin II, an Aspartic Protease from Plasmodium falciparum. J. Mol. Biol. 2003, 327, 173-181.
Design and Synthesis of New Potent C2-Symmetric HIV-1 Protease Inhibitors. Use of L-Mannaric Acid as a Peptidomimetic Scaffold
Alterman, M.; Björsne, M.; Mühlman, A.; Classon, B.; Kvarnström, I.; Danielson, H.; Markgren, P.-O.; Nillroth, U.; Unge, T.; Hallberg, A.; Samuelsson, B. Design and Synthesis of New Potent C2-Symmetric HIV-1 Protease Inhibitors. Use of L-Mannaric Acid as a Peptidomimetic Scaffold. J. Med. Chem. 1998, 41, 3782-3792.
Plasmodium falciparum: Assessment of In Vitro Growth by [3H]Hypoxanthine Incorporation
Chulay, J. D.; Haynes, J. D.; Diggs, C. L. Plasmodium falciparum: Assessment of In Vitro Growth by [3H]Hypoxanthine Incorporation. Exp. Parasitol. 1983, 55, 138-146.
Ligand Binding Affinity Prediction by Linear Interaction Energy Methods
Hansson, T.; Marelius, J.; Åqvist, J. Ligand Binding Affinity Prediction by Linear Interaction Energy Methods. J. Comput.-Aided Mol. Des. 1998, 12, 27-35.
Aspartic Proteases of Plasmodium falciparum and other Parasitic Protozoa as Drug Targets
Coombs, G. H.; Goldberg, D. E.; Klemba, M.; Berry, C.; Kay, J.; Mottram, J. C. Aspartic Proteases of Plasmodium falciparum and other Parasitic Protozoa as Drug Targets. Trends Parasitol. 2001, 17, 532-537.
Brinner, K. M.; Kim, J. M.; Habashita, H.; Gluzman, I. Y.; Goldberg, D. E.; Ellman, J. A. Novel and Potent Anti-Malarial Agents. Bioorg. Med. Chem. 2002, 10, 3649-3661.
On the Molecular Mechanism of Chloroquine's Antimalarial Action
Sullivan, D. J., Jr.; Gluzman, I. Y.; Russell, D. G.; Goldberg, D. E. On the Molecular Mechanism of Chloroquine's Antimalarial Action. Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 11865-11870.
Glycosidase Inhibitors: Synthesis of Enantiomerically Pure Aza-Sugars from Schiff Base Amino Esters via Tandem Reduction-Alkenylation and Osmylation
Polt, R.; Sames, D.; Chruma, J. Glycosidase Inhibitors: Synthesis of Enantiomerically Pure Aza-Sugars from Schiff Base Amino Esters via Tandem Reduction-Alkenylation and Osmylation. J. Org. Chem. 1999, 64, 6147-6158.
Relationship between the Inhibition Constant (K1) and the Concentration of Inhibitor which Causes 50 Per Cent Inhibition (150) of an Enzymatic Reaction
Cheng, Y.; Prusoff, W. H. Relationship Between the Inhibition Constant (K1) and the Concentration of Inhibitor which Causes 50 Per Cent Inhibition (150) of an Enzymatic Reaction. Biochem. Pharmacol. 1973, 22, 3099-3108.
Purification of Plasmodium falciparum Merozoites for Analysis of the Processing of Merozoite Surface Protein-1
Blackman, M. J. Purification of Plasmodium falciparum Merozoites for Analysis of the Processing of Merozoite Surface Protein-1. Methods Cell Biol. 1994, 45, 213-220.
Computation of Affinity and Selectivity: Binding of 2, 4- Diaminopteridine and 2,4-Diaminoquinazoline Inhibitors to Dihydrofolate Reductases
Marelius, J.; Graffher-Nordberg, M.; Hansson, T.; Hallberg, A.; Åqvist, J. Computation of Affinity and Selectivity: Binding of 2, 4- Diaminopteridine and 2,4-Diaminoquinazoline Inhibitors to Dihydrofolate Reductases. J. Comput.-Aided Mol. Des. 1998, 12, 119-131.
Design, Synthesis, Computational Prediction, and Biological Evaluation of Ester Soft Drugs as Inhibitors of Dihydrofolate Reductase from Pneumocystis carinii
Graffher-Nordberg, M.; Kolmodin, K.; Åqvist, J.; Queener, S. F.; Hallberg, A. Design, Synthesis, Computational Prediction, and Biological Evaluation of Ester Soft Drugs as Inhibitors of Dihydrofolate Reductase from Pneumocystis carinii. J. Med. Chem. 2001, 44, 2391-2402.
Q: A Molecular Dynamics Program for Free Energy Calculations and Empirical Valence Bond Simulations in Biomolecular Systems
Marelius, J.; Kolmodin, K.; Feierberg, I.; Åqvist, J. Q: A Molecular Dynamics Program for Free Energy Calculations and Empirical Valence Bond Simulations in Biomolecular Systems. J. Mol. Graphics Modell. 1998, 16, 213-225, 261.
Biomos B. V.: Nijenborgh, Groningen, The Netherlands
van Gunsteren, W. F.; Berendsen, H. J. C. Groningen Molecular Simulation (GROMOS) Library Manual; Biomos B. V.: Nijenborgh, Groningen, The Netherlands, 1987.
A Local Reaction Field Method for Fast Evaluation of Long-Range Electrostatic Interactions in Molecular Simulations
Lee, F. S.; Warshel, A. A Local Reaction Field Method for Fast Evaluation of Long-Range Electrostatic Interactions in Molecular Simulations. J. Chem. Phys. 1992, 97, 3100-3107.
Calculation of Absolute Binding Free Energies for Charged Ligands and Effects of Long-Range Electrostatic Interactions
Åqvist, J. Calculation of Absolute Binding Free Energies for Charged Ligands and Effects of Long-Range Electrostatic Interactions. J. Comput. Chem. 1996, 17, 1587-1597.