Search Results - "CREGAR, Lynne"

Synthetic small molecule furin inhibitors derived from 2,5-dideoxystreptamine by Jiao, Guan-Sheng, Cregar, Lynne, Wang, Jinzhi, Millis, Sherri Z, Tang, Cho, O'Malley, Sean, Johnson, Alan T, Sareth, Sina, Larson, Jason, Thomas, Gary

“…Furin plays a crucial role in embryogenesis and homeostasis and in diseases such as Alzheimer's disease, cancer, and viral and bacterial infections. Thus,…”
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Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility by Thompson, Aaron A, Jiao, Guan-Sheng, Kim, Seongjin, Thai, April, Cregar-Hernandez, Lynne, Margosiak, Stephen A, Johnson, Alan T, Han, Gye Won, O’Malley, Sean, Stevens, Raymond C

“…Neurotoxins synthesized by Clostridium botulinum bacteria (BoNT), the etiological agent of human botulism, are extremely toxic proteins making them high-risk…”
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Small Molecule Pan-Dengue and West Nile Virus NS3 Protease Inhibitors by Cregar-Hernandez, Lynne, Jiao, Guan-Sheng, Johnson, Alan T, Lehrer, Axel T, Wong, Teri Ann S, Margosiak, Stephen A

“…Background: Dengue fever, dengue haemorrhagic fever, and dengue shock syndrome are caused by infections with any of the four serotypes of the dengue virus…”
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High-Throughput Screening of Enzyme Inhibitors: Simultaneous Determination of Tight-Binding Inhibition Constants and Enzyme Concentration by Kuzmič, Petr, Elrod, Kyle C, Cregar, Lynne M, Sideris, Steve, Rai, Roopa, Janc, James W

“…Active site titration by a reversible tight-binding inhibitor normally depends on prior knowledge of the inhibition constant. Conversely, the determination of…”
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High-Throughput Screening of Enzyme Inhibitors: Automatic Determination of Tight-Binding Inhibition Constants by Kuzmič, Petr, Sideris, Steve, Cregar, Lynne M., Elrod, Kyle C., Rice, Kenneth D., Janc, James W.

“…Determination of tight-binding inhibition constants by nonlinear least-squares regression requires sufficiently good initial estimates of the best-fit values…”
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Mixed‐type noncompetitive inhibition of anthrax lethal factor protease by aminoglycosides by Kuzmic, Petr, Cregar, Lynne, Millis, Sherri Z., Goldman, Mark

“…We report a detailed kinetic investigation of the aminoglycosides neomycin B and neamine as inhibitors of the lethal factor protease from Bacillus anthracis…”
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Guanidinylated 2,5-dideoxystreptamine derivatives as anthrax lethal factor inhibitors by Jiao, Guan-Sheng, Cregar, Lynne, Goldman, Mark E., Millis, Sherri Z., Tang, Cho

“…Anthrax lethal factor is a Zn2+-dependent metalloprotease and the key virulence factor of tripartite anthrax toxin secreted by Bacillus anthracis, the…”
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Selectively guanidinylated derivatives of neamine. Syntheses and inhibition of anthrax lethal factor protease by Jiao, Guan-Sheng, Simo, Ondrej, Nagata, Melissa, O’Malley, Sean, Hemscheidt, Thomas, Cregar, Lynne, Millis, Sherri Z., Goldman, Mark E., Tang, Cho

“…A series of mono-, di-, and tri-guanidinylated derivatives of neamine were prepared via selective guanidinylation of neamine. These molecules represent a novel…”
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Cationic polyamines inhibit anthrax lethal factor protease by Goldman, Mark Evan, Cregar, Lynne, Nguyen, Dominique, Simo, Ondrej, O'Malley, Sean, Humphreys, Tom

“…Anthrax is a human disease that results from infection by the bacteria, Bacillus anthracis and has recently been used as a bioterrorist agent. Historically,…”
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Small molecule inhibitors of anthrax edema factor by Jiao, Guan-Sheng, Kim, Seongjin, Moayeri, Mahtab, Thai, April, Cregar-Hernandez, Lynne, McKasson, Linda, O'Malley, Sean, Leppla, Stephen H., Johnson, Alan T.

“…[Display omitted] Anthrax is a highly lethal disease caused by the Gram-(+) bacteria Bacillus anthracis. Edema toxin (ET) is a major contributor to the…”
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Optimization of a screening lead for factor VIIa/TF by Young, Wendy B, Kolesnikov, Aleksandr, Rai, Roopa, Sprengeler, Paul A, Leahy, Ellen M, Shrader, William D, Sangalang, Joan, Burgess-Henry, Jana, Spencer, Jeff, Elrod, Kyle, Cregar, Lynne

“…The structure-based design and progression of a screening lead to a 3 nM factor VIIa/TF inhibitor with improved selectivity versus related enzymes is…”
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Generation of potent coagulation protease inhibitors utilizing zinc-mediated chelation by Young, Wendy B., Sprengeler, Paul, Shrader, William D., Li, Yong, Rai, Roopa, Verner, Erik, Jenkins, Thomas, Fatheree, Paul, Kolesnikov, Aleksandr, Janc, James W., Cregar, Lynne, Elrod, Kyle, Katz, Brad

“…Inhibition of coagulation proteases such as thrombin, fXa, and fVIIa has been a focus of ongoing research to produce safe and effective antithrombotic agents…”
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Neutrophil Myeloperoxidase Is a Potent and Selective Inhibitor of Mast Cell Tryptase by Cregar, Lynne, Elrod, Kyle C., Putnam, Daun, Moore, William R.

“…Myeloperoxidase (MPO) is an important component of the neutrophil response to microbial infection. In this paper we report an additional activity of MPO, the…”
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Dibasic inhibitors of human mast cell tryptase. Part 2: Structure–activity relationships and requirements for potent activity by Rice, Kenneth D, Wang, Vivian R, Gangloff, Anthony R, Kuo, Elaine Y.-L, Dener, Jeffrey M, Newcomb, William S, Young, Wendy B, Putnam, Daun, Cregar, Lynne, Wong, Martin, Simpson, Paul J

“…Detailed structure–activity relationships (SARs) for a series of dibasic human tryptase inhibitors are presented. The structural requirements for potent…”
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Antidotes to anthrax lethal factor intoxication. Part 2: Structural modifications leading to improved in vivo efficacy by Kim, Seongjin, Jiao, Guan-Sheng, Moayeri, Mahtab, Crown, Devorah, Cregar-Hernandez, Lynne, McKasson, Linda, Margosiak, Stephen A., Leppla, Stephen H., Johnson, Alan T.

“…New anthrax lethal factor inhibitors (LFIs) were designed based upon previously identified potent inhibitors 1a and 2. Combining the new core structures with…”
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Antidotes to anthrax lethal factor intoxication. Part 1: Discovery of potent lethal factor inhibitors with in vivo efficacy by Jiao, Guan-Sheng, Kim, Seongjin, Moayeri, Mahtab, Cregar-Hernandez, Lynne, McKasson, Linda, Margosiak, Stephen A., Leppla, Stephen H., Johnson, Alan T.

“…Sub-nanomolar small molecule inhibitors of anthrax lethal factor have been identified. Sub-nanomolar small molecule inhibitors of anthrax lethal factor have…”
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Dibasic inhibitors of human mast cell tryptase. Part 1: Synthesis and optimization of a novel class of inhibitors by Rice, Kenneth D, Gangloff, Anthony R, Kuo, Elaine Y.-L, Dener, Jeffrey M, Wang, Vivian R, Lum, Robert, Newcomb, William S, Havel, Chris, Putnam, Daun, Cregar, Lynne, Wong, Martin, Warne, Robert L

“…The synthesis and optimization of a novel class of reversible and active-site directed dibasic inhibitors of human mast cell tryptase are described. The…”
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Antidotes to anthrax lethal factor intoxication. Part 3: Evaluation of core structures and further modifications to the C2-side chain by Jiao, Guan-Sheng, Kim, Seongjin, Moayeri, Mahtab, Crown, Devorah, Thai, April, Cregar-Hernandez, Lynne, McKasson, Linda, Sankaran, Banumathi, Lehrer, Axel, Wong, Teri, Johns, Lisa, Margosiak, Stephen A., Leppla, Stephen H., Johnson, Alan T.

“…Four core structures capable of providing sub-nanomolar inhibitors of anthrax lethal factor (LF) were evaluated by comparing the potential for toxicity,…”
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Virtual medicinal chemistry: In silico pre-docking functional group transformation for discovery of novel inhibitors of botulinum toxin serotype A light chain by O’Malley, Sean, Sareth, Sina, Jiao, Guan-Sheng, Kim, Seongjin, Thai, April, Cregar-Hernandez, Lynne, McKasson, Linda, Margosiak, Stephen A., Johnson, Alan T.

“…A novel method for applying high-throughput docking to challenging metalloenzyme targets is described. The method utilizes information-based virtual…”
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Structural Characterization of Three Novel Hydroxamate-based Zinc Chelating Inhibitors of the C. botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility by Thompson, Aaron A., Jiao, Guan-Sheng, Kim, Seongjin, Thai, April, Cregar-Hernandez, Lynne, Margosiak, Stephen A., Johnson, Alan T., Han, Gye Won, O’Malley, Sean, Stevens, Raymond C.

“…Neurotoxins synthesized by Clostridium botulinum bacteria (BoNT), the etiological agent of human botulism, are extremely toxic proteins making them high-risk…”
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