Zobrazeno 1 - 10
of 65
pro vyhledávání: '"DOUGLAS C. ROHRER"'
Autor:
Barbara A. Schweitzer, Atli Thorarensen, Michael S. Davies, Steve R. Turner, Matthew James Pelc, James R. Kiefer, Brenda L. Case, Christie L. Funckes-Shippy, Jacqueline E. Day, Fengmei Hua, Dice Tom, William M. Abraham, Bradley E. Neal, John I. Trujillo, Joseph B. Moon, Blake Tanisha Danielle Rowe, Wei Huang, Craig D. Wegner, Dean Welsch, Chris P. Carron, Anup Zutshi, Bruce C. Hamper, Chad J. Warren, Rhonda S. Woerndle, Christine M. Kornmeier, Vickie M. Dilworth, Melanie L. Williams, Martin E. Dowty, Olson Kirk Lang, Melissa R. Radabaugh, Becky L. Hood, Jerry Z. Yang, Douglas C. Rohrer, Gina M. Jerome, Christine P. Bono
Publikováno v:
ACS Medicinal Chemistry Letters. 1:59-63
Hematopoietic prostaglandin D synthase (HPGDS) is primarly expressed in mast cells, antigen-presenting cells, and Th-2 cells. HPGDS converts PGH2 into PGD2, a mediator thought to play a pivotal role in airway allergy and inflammatory processes. In th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e6559b7ee90a239bc2255e65f4dd700
https://doi.org/10.1021/ml900025z
https://doi.org/10.1021/ml900025z
Autor:
Michael T. Sweeney, Donna L. Romero, Garold L. Bryant, Gary E. Zurenko, Fusen Han, Douglas C. Rohrer, Atli Thorarensen, Keith R. Marotti, Brian D. Wakefield
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 17:2823-2827
In the past few years, a significant effort has been devoted by Pharmacia toward the discovery of novel antibiotics. We have recently described the identification of an anthranilic acid lead 1 and the optimization resulting in the advanced lead 2. In
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2aed26bc736179ec98daa61b460e39c8
https://doi.org/10.1016/j.bmcl.2007.02.055
https://doi.org/10.1016/j.bmcl.2007.02.055
Autor:
Douglas C. Rohrer, Cory M. Stiff, Jianke Li, Brian D. Wakefield, Keith R. Marotti, Michael T. Sweeney, Donna L. Romero, Gary E. Zurenko, J. Craig Ruble, Atli Thorarensen
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 17:2347-2350
Discovery of novel antibacterial agents is a significant challenge. We have recently reported on our discovery of novel antibacterial agents in which we have rapidly optimized potency utilizing a parallel chemistry approach. These advanced leads suff
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::154591ae032549d198cd4af88e21ee11
https://doi.org/10.1016/j.bmcl.2006.12.055
https://doi.org/10.1016/j.bmcl.2006.12.055
Publikováno v:
Drug Discovery Today. 11:700-707
There have recently been developments in the methods used to access the accuracy of the prediction and applicability domain of absorption, distribution, metabolism, excretion and toxicity models, and also in the methods used to predict the physicoche
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a70175ac91915f4fa7ec5431304f5072
https://doi.org/10.1016/j.drudis.2006.06.013
https://doi.org/10.1016/j.drudis.2006.06.013
Autor:
Mats Kihlen, Romano T. Kroemer, Jean-Yves Trosset, Anna Vulpetti, Fabrizio Giordanetto, Simona Cotesta, Douglas C. Rohrer, Pieter F. W. Stouten, Colin McMartin, Joseph J. McDonald
Publikováno v:
Journal of Chemical Information and Computer Sciences. 44:871-881
Six docking programs (FlexX, GOLD, ICM, LigandFit, the Northwestern University version of DOCK, and QXP) were evaluated in terms of their ability to reproduce experimentally observed binding modes (poses) of small-molecule ligands to macromolecular t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9db9e263d0655b2f2c0fcbde62c85eae
https://doi.org/10.1021/ci049970m
https://doi.org/10.1021/ci049970m
Autor:
Gary E. Zurenko, Lester A. Dolak, Atli Thorarensen, Martin R. Douglas, J. C. Lynn, Eric P. Seest, Paul K. Tomich, James W. Nielsen, Michael T. Sweeney, Vincent D. Marshall, Anne F. Vosters, Michael John Bohanon, Anthony W. Yem, Douglas C. Rohrer, Randy M. Jensen
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 11:1355-1358
Peptidyl deformylase (PDF) is a metallo protease that catalyzes the removal of a formyl group from the N-termini of prokaryotic prepared polypeptides, an essential step in bacterial protein synthesis. Screening of our compound collection using Staphy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a3ddc72fb075b92c46be5d534e3d113
https://doi.org/10.1016/s0960-894x(01)00242-6
https://doi.org/10.1016/s0960-894x(01)00242-6
Publikováno v:
Journal of Computer-Aided Molecular Design. 14:39-51
An analysis of the relationship among alignment solutions obtained from field-based matching of a representative set of rigid conformers of three non-nucleoside HIV-1 reverse transcriptase inhibitors and solutions obtained from flexible matching of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::87c35b14cdf2db1771c8c06347ef5813
https://doi.org/10.1023/a:1008168228728
https://doi.org/10.1023/a:1008168228728
Publikováno v:
Journal of Computer-Aided Molecular Design. 13:79-93
This article describes a molecular-field-based similarity method for aligning molecules by matching their steric and electrostatic fields and an application of the method to the alignment of three structurally diverse non-nucleoside HIV-1 reverse tra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::303c002074a2d00a332fffe9b24dbfe4
https://doi.org/10.1023/a:1008098215954
https://doi.org/10.1023/a:1008098215954
Publikováno v:
Journal of Computational Chemistry. 18:934-954
This contribution presents the development and applicability of MIMIC, a molecular-field matching program for quantitatively evaluating the similarity between molecules, in a computationally feasible way and assesses the relative orientation that max
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ae7dd5145509af0e96a806e39bd5a2e9
https://doi.org/10.1002/(sici)1096-987x(199705)18:7<934::aid-jcc6>3.0.co
https://doi.org/10.1002/(sici)1096-987x(199705)18:7<934::aid-jcc6>3.0.co
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 5:1875-1880
The design and synthesis of a novel conformationally constrained spiro analog of the BHAP class of HIV-1 reverse transcriptase inhibitors, based on the molecular modeling and the X-ray crystal structure of the clinical candidate atevirdine, is descri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1787ed4403b88381695480df48681264
https://doi.org/10.1016/0960-894x(95)00311-g
https://doi.org/10.1016/0960-894x(95)00311-g