Search Results - "Madison, Vincent S"

The Active Site of a Zinc-Dependent Metalloproteinase Influences the Computed pKa of Ligands Coordinated to the Catalytic Zinc Ion by CROSS, Jason B., DUCA, José S., KAMINSKI, James J., MADISON, Vincent S.

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Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors by Fischmann, Thierry O, Smith, Catherine K, Mayhood, Todd W, Myers, Joseph E, Reichert, Paul, Mannarino, Anthony, Carr, Donna, Zhu, Hugh, Wong, Jesse, Yang, Rong-Sheng, Le, Hung V, Madison, Vincent S

“…MEK1 is a member of the MAPK signal transduction pathway that responds to growth factors and cytokines. We have determined that the kinase domain spans…”
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Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel μM Leads for the Development of nM BACE-1 (β-Site APP Cleaving Enzyme 1) Inhibitors by Wang, Yu-Sen, Strickland, Corey, Voigt, Johannes H, Kennedy, Matthew E, Beyer, Brian M, Senior, Mary M, Smith, Elizabeth M, Nechuta, Terry L, Madison, Vincent S, Czarniecki, Michael, McKittrick, Brian A, Stamford, Andrew W, Parker, Eric M, Hunter, John C, Greenlee, William J, Wyss, Daniel F

“…Fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design were used to identify novel inhibitors for…”
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Identification of Novel Cannabinoid CB1 Receptor Antagonists by Using Virtual Screening with a Pharmacophore Model by Wang, Hongwu, Duffy, Ruth A, Boykow, George C, Chackalamannil, Samuel, Madison, Vincent S

“…CB1 receptor antagonists have proven to be clinically effective in treating obesity and related disorders. We report here the identification of a novel class…”
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Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor by Deng, Yongqi, Shipps, Jr, Gerald W, Zhao, Lianyun, Siddiqui, M Arshad, Popovici-Muller, Janeta, Curran, Patrick J, Duca, Jose S, Hruza, Alan W, Fischmann, Thierry O, Madison, Vincent S, Zhang, Rumin, McNemar, Charles W, Mayhood, Todd W, Syto, Rosalinda, Annis, Allen, Kirschmeier, Paul, Lees, Emma M, Parry, David A, Windsor, William T

“…A new class of quinoline-based kinase inhibitors has been discovered that both disrupt cyclin dependent 2 (CDK2) interaction with its cyclin A subunit and act…”
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Solution Structure of the Ras-Binding Domain of c-Raf-1 and Identification of Its Ras Interaction Surface by Emerson, S. Donald, Madison, Vincent S, Palermo, Robert E, Waugh, David S, Scheffler, Julie E, Tsao, Kwei-Lan, Kiefer, Susan E, Liu, Shuang P, Fry, David C

“…The structure of the Ras-binding domain of human c-Raf-1 (residues 55-132) has been determined in solution by nuclear magnetic resonance (NMR) spectroscopy…”
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Cross-Docking of Inhibitors into CDK2 Structures. 1 by Duca, José S, Madison, Vincent S, Voigt, Johannes H

“…Predicting protein/ligand binding affinity is one of the most challenging computational chemistry tasks. Numerous methods have been developed to address this…”
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Cross-Docking of Inhibitors into CDK2 Structures. 2 by Voigt, Johannes H, Elkin, Carl, Madison, Vincent S, Duca, José S

“…In the preceding paper (Duca, J. S.; Madison, V. S.; Voigt, J. H. J. Chem. Inf. Model. 2008, 48, 659−668), the accuracy of docking and affinity predictions of…”
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Design and Synthesis of Depeptidized Macrocyclic Inhibitors of Hepatitis C NS3-4A Protease Using Structure-Based Drug Design by Venkatraman, Srikanth, Njoroge, F. George, Girijavallabhan, Viyyoor M, Madison, Vincent S, Yao, Nanua H, Prongay, Andrew J, Butkiewicz, Nancy, Pichardo, John

“…Hepatitus C virus (HCV) NS3, when bound to NS-4A cofactor, facilitates development of mature virons by catalyzing cleavage of a polyprotein to form functional…”
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Insights from ab initio quantum chemical calculations into the preferred tautomeric forms and binding affinities to CDK2 of substituted pyrazolopyridines by Duca, José S., Madison, Vincent S.

“…Ab initio calculations were employed to compute pKa values and tautomer properties of a series of substituted pyrazolopyridines. The results show that the…”
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Structure of interleukin 1 .alpha. at 2.7-.ANG. resolution by Graves, Bradford J, Hatada, Marcos H, Hendrickson, Wayne A, Miller, Julann K, Madison, Vincent S, Satow, Yoshinori

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Peptide Mimetics of Thyrotropin-Releasing Hormone Based on a Cyclohexane Framework: Design, Synthesis, and Cognition-Enhancing Properties by Olson, Gary L, Cheung, Ho-Chuen, Chiang, Elliot, Madison, Vincent S, Sepinwall, Jerry, Vincent, George P, Winokur, Andrew, Gary, Keith A

“…The design and synthesis of peptide mimetics of thyrotropin-releasing hormone (TRH) in which the peptide backbone is entirely replaced by a cyclohexane…”
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Design and synthesis of a protein .beta.-turn mimetic by Olson, Gary L, Voss, Matthew E, Hill, David E, Kahn, Michael, Madison, Vincent S, Cook, Charles M

“…A nine-membered-ring lactam system (1) has been chosen as a framework for the development of non-peptide molecules to mimic structural features of peptide and…”
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Induced-fit docking of mometasone furoate and further evidence for glucocorticoid receptor 17α pocket flexibility by Wang, Hongwu, Aslanian, Robert, Madison, Vincent S.

“…An induced-fit docking method was used to characterize the interactions of the glucocorticoid receptor binding-site with mometasone furoate, a glucocorticoid…”
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Solution structure of an analog of vasoactive intestinal peptide as determined by two-dimensional NMR and circular dichroism spectroscopies and constrained molecular dynamics by Fry, David C, Madison, Vincent S, Bolin, David R, Greeley, David N, Toome, Voldemar, Wegrzynski, Bogda B

“…Structures have been determined for a potent analogue of vasoactive intestinal peptide (VIP), Ac-[Lys12, Lys14, Nle17, Val26, Thr28]VIP (VIP'), in…”
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N-(Carboxymethyl)-N-[3,5-bis(decyloxy)phenyl]glycine (Ro 23-9358): a potent inhibitor of secretory phospholipases A2 with antiinflammatory activity by LeMahieu, Ronald A, Carson, Mathew, Han, Ru Jen, Madison, Vincent S, Hope, William C, Chen, Ting, Morgan, Douglas W, Hendrickson, H. Stewart

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The Active Site of a Zinc-Dependent Metalloproteinase Influences the Computed pK a of Ligands Coordinated to the Catalytic Zinc Ion by Cross, Jason B, Duca, José S, Kaminski, James J, Madison, Vincent S

“…TNF-α converting enzyme (TACE) is a multidomain, membrane-anchored protein that includes a Zn-dependent protease domain. It releases the soluble form of…”
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Three-dimensional structure of porcine C5adesArg from proton nuclear magnetic resonance data by Williamson, Michael P, Madison, Vincent S

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Synthesis, biological activity and conformational analysis of cyclic GRF analogs by Felix, A M, Heimer, E P, Wang, C T, Lambros, T J, Fournier, A, Mowles, T F, Maines, S, Campbell, R M, Wegrzynski, B B, Toome, V

“…A novel cyclic GRF analog, cyclo(Asp8-Lys12)-[Asp8,Ala15]-GRF(1-29)-NH2, i.e. cyclo8,12[Asp8,Ala15]-GRF(1-29)-NH2, was synthesized by the solid phase procedure…”
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Application of Fragment-Based NMR Screening, X-ray Crystallography, Structure-Based Design, and Focused Chemical Library Design to Identify Novel [mu]M Leads for the Development of nM BACE-1 ([beta]-Site APP Cleaving Enzyme 1) Inhibitors by Wang, Yu-Sen, Strickland, Corey, Voigt, Johannes H., Kennedy, Matthew E., Beyer, Brian M., Senior, Mary M., Smith, Elizabeth M., Nechuta, Terry L., Madison, Vincent S., Czarniecki, Michael, McKittrick, Brian A., Stamford, Andrew W., Parker, Eric M., Hunter, John C., Greenlee, William J., Wyss, Daniel F.

“…Fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design were used to identify novel inhibitors for…”
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