Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Matthew, Lardy"'
Autor:
Sabine Pellett, B. Blanco, Kim D. Janda, Eric A. Johnson, G. Neil Stowe, Peter Šilhár, Matthew Lardy, Hajime Seki
Publikováno v:
Bioorganic & Medicinal Chemistry. 22:1208-1217
Botulinum neurotoxin A (BoNT/A) is the most potent toxin known. Unfortunately, it is also a potential bioweapon in terrorism, which is without an approved therapeutic treatment once cellular intoxication takes place. Previously, we reported how hydro
Autor:
Matthew Lardy, Kim D. Janda, Joseph T. Barbieri, Anjali K. Struss, Jenny M. Lively, Peter Šilhár, Sacha Javor, Mark S. Hixon, Charles B. Shoemaker
Publikováno v:
ACS Medicinal Chemistry Letters. 4:283-287
Botulinum neurotoxins (BoNTs) are among the most deadly poisons known though ironically, they also are of great therapeutic utility. A number of research programs have been initiated to discover small molecule inhibitors of BoNTs metalloprotease acti
Publikováno v:
Journal of Chemical Information and Modeling. 52:1328-1336
In modern day drug discovery campaigns, computational chemists have to be concerned not only about improving the potency of molecules but also reducing any off-target ADMET activity. There are a plethora of antitargets that computational chemists may
Autor:
Laurie A. LeBrun, Mei Tsan, Yuefen Zhou, Frank Ruebsam, Darian M. Bartkowski, Alan X. Xiang, Ruhi Kamran, Lian-Sheng Li, Richard E. Showalter, Jingjing Zhao, Rupal Patel, Matthew Lardy, Maria V. Sergeeva, Stephen E. Webber, Amit M. Shah, David Archer Ellis, Zhongxiang Sun, Mcguire Helen, Julie Blazel, Leo Kirkovsky, Daniel A. Norris, Tran Chinh Viet, Charles R. Kissinger, Thomas G. Nolan, Peter S. Dragovich, Qing Han
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 18:4628-4632
4-(1,1-Dioxo-1,4-dihydro-1lambda(6)-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-one analogs were discovered as a novel class of inhibitors of HCV NS5B polymerase. Structure-based design led to the identification of compound 3a that displayed pot
Autor:
Tran Chinh Viet, Charles R. Kissinger, Daniel A. Norris, Ruhi Kamran, Amit M. Shah, Jingjing Zhao, Yuefen Zhou, Rupal Patel, Matthew Lardy, Darian M. Bartkowski, Richard E. Showalter, Stephen E. Webber, Laurie A. LeBrun, Mei Tsan, Douglas E. Murphy, Sun Hee Kim, Maria V. Sergeeva, Leo Kirkovsky, Martin T. Tran, Thomas G. Nolan, Qing Han, Frank Ruebsam, Lian-Sheng Li, Peter S. Dragovich
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 18:3616-3621
Pyrrolo[1,2-b]pyridazin-2-one analogs were discovered as a novel class of inhibitors of genotype 1 HCV NS5B polymerase. Structure-based design led to the discovery of compound 3 k, which displayed potent inhibitory activities in biochemical and repli
Autor:
Tyler L. Harris, Xiaoqing Cai, Malcolm R. Wood, Major Gooyit, Matthew Lardy, Jie Zhu, Kim D. Janda
Publikováno v:
Chemistrybiology. 22(4)
Summary The emergence of antibiotic resistance places a sense of urgency on the development of alternative antibacterial strategies, of which targeting virulence factors has been regarded as a "second generation" antibiotic approach. In the case of P
Autor:
Alberto, Gobbi, Matthew, Lardy, Sun Hee, Kim, Frank, Ruebsam, Martin, Tran, Stephen E, Webber, Alan X, Xiang
Publikováno v:
In silico biology. 11(1-2)
We present Illuminator, a user-friendly web front end to computational models such as docking and 3D shape similarity calculations. Illuminator was specifically created to allow non-experts to design and submit molecules to computational chemistry pr
Autor:
Anjali K. Struss, Colin A. Lowery, Isao Kinoyama, Matthew Lardy, Kim D. Janda, Joseph S. Zakhari, Prasanna Pullanikat
Publikováno v:
Journal of the American Chemical Society. 133(11)
The triphenyl amide/ester 12 was originally reported to be a potent mimic of the natural 3-oxo-dodecanoyl homoserine lactone quorum sensing molecule in Pseudomonas aeruginosa. However, explicit synthesis/chemical characterization was lacking, and a l
Autor:
Ruhi Kamran, Tran Chinh Viet, Laurie A. LeBrun, Alberto Gobbi, Jingjing Zhao, David Archer Ellis, Qiang Zhao, Julie Blazel, Rupal Patel, Matthew Lardy, Maria V. Sergeeva, Thomas G. Nolan, Qing Han, Stephen E. Webber, Amit M. Shah, Yuefen Zhou, Frank Ruebsam, Richard E. Showalter, Darian M. Bartkowski, Leo Kirkovsky, Alan X. Xiang, Lian-Sheng Li, Douglas E. Murphy, Mei Tsan, Mcguire Helen, Charles R. Kissinger, Daniel A. Norris
Publikováno v:
Bioorganicmedicinal chemistry letters. 19(21)
The discovery of 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of the HCV RNA-dependent RNA polymerase (NS5B) is described. Several of these agents also display potent antiviral activity in cell culture experiments (EC50
Autor:
Ellen Okamoto, Ruhi Kamran, Leo Kirkovsky, Darian M. Bartkowski, Alberto Gobbi, Jingjing Zhao, Rupal Patel, Lian-Sheng Li, Matthew Lardy, Peter S. Dragovich, Laurie A. LeBrun, Stephen E. Webber, Nebojsa Stankovic, Mei Tsan, Maria V. Sergeeva, Daniel A. Norris, Amit M. Shah, Thomas G. Nolan, Yuefen Zhou, Douglas E. Murphy, Thomas M. Bertolini, Zhongxiang Sun
Publikováno v:
Bioorganicmedicinal chemistry letters. 18(11)
5-Hydroxy-3(2H)-pyridazinone derivatives were investigated as potent inhibitors of genotype 1 HCV NS5B polymerase focusing on the optimization of their drug metabolism and pharmacokinetics (DMPK) profiles. This investigation led to the discovery of p