Search Results - "Erickson, Jon A."

Lessons in Molecular Recognition:  The Effects of Ligand and Protein Flexibility on Molecular Docking Accuracy by Erickson, Jon A, Jalaie, Mehran, Robertson, Daniel H, Lewis, Richard A, Vieth, Michal

“…The key to success for computational tools used in structure-based drug design is the ability to accurately place or “dock” a ligand in the binding pocket of…”
Get full text

Lessons in Molecular Recognition. 2. Assessing and Improving Cross-Docking Accuracy by Sutherland, Jeffrey J, Nandigam, Ravi K, Erickson, Jon A, Vieth, Michal

“…Docking methods are used to predict the manner in which a ligand binds to a protein receptor. Many studies have assessed the success rate of programs in…”
Get full text

A Pharmacophore for Human Pregnane X Receptor Ligands by EKINS, Sean, ERICKSON, Jon A

“…The pregnane X receptor (PXR) is involved in transcriptional regulation of multiple cytochromes P450 and multidrug resistance-associated protein (MDR1), which…”
Get full text

Preparation and biological evaluation of conformationally constrained BACE1 inhibitors by Winneroski, Leonard L., Schiffler, Matthew A., Erickson, Jon A., May, Patrick C., Monk, Scott A., Timm, David E., Audia, James E., Beck, James P., Boggs, Leonard N., Borders, Anthony R., Boyer, Robert D., Brier, Richard A., Hudziak, Kevin J., Klimkowski, Valentine J., Garcia Losada, Pablo, Mathes, Brian M., Stout, Stephanie L., Watson, Brian M., Mergott, Dustin J.

“…[Display omitted] The BACE1 enzyme is a key target for Alzheimer’s disease. During our BACE1 research efforts, fragment screening revealed that bicyclic…”
Get full text

Fragment-based design of kinase inhibitors: a practical guide by Erickson, Jon A

“…Fragment-based drug design has become an important strategy for drug design and development over the last decade. It has been used with particular success in…”
Get more information

The potent BACE1 inhibitor LY2886721 elicits robust central Aβ pharmacodynamic responses in mice, dogs, and humans by May, Patrick C, Willis, Brian A, Lowe, Stephen L, Dean, Robert A, Monk, Scott A, Cocke, Patrick J, Audia, James E, Boggs, Leonard N, Borders, Anthony R, Brier, Richard A, Calligaro, David O, Day, Theresa A, Ereshefsky, Larry, Erickson, Jon A, Gevorkyan, Hykop, Gonzales, Celedon R, James, Douglas E, Jhee, Stanford S, Komjathy, Steven F, Li, Linglin, Lindstrom, Terry D, Mathes, Brian M, Martényi, Ferenc, Sheehan, Scott M, Stout, Stephanie L, Timm, David E, Vaught, Grant M, Watson, Brian M, Winneroski, Leonard L, Yang, Zhixiang, Mergott, Dustin J

“…BACE1 is a key protease controlling the formation of amyloid β, a peptide hypothesized to play a significant role in the pathogenesis of Alzheimer's disease…”
Get full text

Hydrogen Bond Donor Properties of the Difluoromethyl Group by Erickson, Jon A, McLoughlin, Jim I

Get full text

Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor by McKinzie, David L, Winneroski, Leonard L, Green, Steven J, Hembre, Erik J, Erickson, Jon A, Willis, Brian A, Monk, Scott A, Aluise, Christopher D, Baker, Thomas K, Lopez, Jose E, Hendle, Jörg, Beck, James P, Brier, Richard A, Boggs, Leonard N, Borders, Anthony R, Cocke, Patrick J, Garcia-Losada, Pablo, Lowe, Stephen L, Mathes, Brian M, May, Patrick C, Porter, Warren J, Stout, Stephanie L, Timm, David E, Watson, Brian M, Yang, Zhixiang, Mergott, Dustin J

“…The beta-site APP cleaving enzyme 1, known as BACE1, has been a widely pursued Alzheimer’s disease drug target owing to its critical role in the production of…”
Get full text

Idea2Data: Toward a New Paradigm for Drug Discovery by Nicolaou, Christos A, Humblet, Christine, Hu, Hong, Martin, Eva M, Dorsey, Frank C, Castle, Thomas M, Burton, Keith Ian, Hu, Haitao, Hendle, Jorg, Hickey, Michael J, Duerksen, Joel, Wang, Jibo, Erickson, Jon A

“…Increasing the success rate and throughput of drug discovery will require efficiency improvements throughout the process that is currently used in the…”
Get full text

Design and synthesis of statine-containing BACE inhibitors by JINGDAN HU, CWI, Cynthia L, MCCARTHY, James R, SMILEY, David L, TIMM, David, ERICKSON, Jon A, MCGEE, James E, YANG, Hsiu-Chiung, MENDEL, David, MAY, Patrick C, SHAPIRO, Mike

“…Utilizing structure-based techniques and solid-phase synthesis, statine-based tetrapeptide BACE inhibitors were designed and synthesized using a heptapeptide…”
Get full text

Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints by Winneroski, Leonard L., Erickson, Jon A., Green, Steven J., Lopez, Jose E., Stout, Stephanie L., Porter, Warren J., Timm, David E., Audia, James E., Barberis, Mario, Beck, James P., Boggs, Leonard N., Borders, Anthony R., Boyer, Robert D., Brier, Richard A., Hembre, Erik J., Hendle, Jörg, Garcia-Losada, Pablo, Minguez, Jose Miguel, Mathes, Brian M., May, Patrick C., Monk, Scott A., Rankovic, Zoran, Shi, Yuan, Watson, Brian M., Yang, Zhixiang, Mergott, Dustin J.

“…[Display omitted] Inhibition of BACE1 has become an important strategy in the quest for disease modifying agents to slow the progression of Alzheimer’s…”
Get full text

Discovery of (1S,2R,3S,4S,5R,6R)‑2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371·HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity by Chappell, Mark D, Li, Renhua, Smith, Stephon C, Dressman, Bruce A, Tromiczak, Eric G, Tripp, Allie E, Blanco, Maria-Jesus, Vetman, Tatiana, Quimby, Steven J, Matt, James, Britton, Thomas C, Fivush, Adam M, Schkeryantz, Jeffrey M, Mayhugh, Daniel, Erickson, Jon A, Bures, Mark G, Jaramillo, Carlos, Carpintero, Mercedes, Diego, José Eugenio de, Barberis, Mario, Garcia-Cerrada, Susana, Soriano, José F, Antonysamy, Stephen, Atwell, Shane, MacEwan, Iain, Condon, Bradley, Sougias, Christine, Wang, Jing, Zhang, Aiping, Conners, Kris, Groshong, Chris, Wasserman, Stephen R, Koss, John W, Witkin, Jeffrey M, Li, Xia, Overshiner, Carl, Wafford, Keith A, Seidel, Wesley, Wang, Xu-Shan, Heinz, Beverly A, Swanson, Steven, Catlow, John T, Bedwell, David W, Monn, James A, Mitch, Charles H, Ornstein, Paul L

“…As part of our ongoing efforts to identify novel ligands for the metabotropic glutamate 2 and 3 (mGlu2/3) receptors, we have incorporated substitution at the…”
Get full text

Structure-guided expansion of kinase fragment libraries driven by support vector machine models by Erickson, Jon A., Mader, Mary M., Watson, Ian A., Webster, Yue W., Higgs, Richard E., Bell, Michael A., Vieth, Michal

“…This work outlines a new de novo design process for the creation of novel kinase inhibitor libraries. It relies on a profiling paradigm that generates a…”
Get full text

Predicting the Accuracy of Ligand Overlay Methods with Random Forest Models by Nandigam, Ravi K, Evans, David A, Erickson, Jon A, Kim, Sangtae, Sutherland, Jeffrey J

“…The accuracy of binding mode prediction using standard molecular overlay methods (ROCS, FlexS, Phase, and FieldCompare) is studied. Previous work has shown…”
Get full text

Novel Potent 5-HT1F Receptor Agonists:  Structure−Activity Studies of a Series of Substituted N-[3-(1-Methyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]amides by Filla, Sandra A, Mathes, Brian M, Johnson, Kirk W, Phebus, Lee A, Cohen, Marlene L, Nelson, David L, Zgombick, John M, Erickson, Jon A, Schenck, Kathryn W, Wainscott, David B, Branchek, Theresa A, Schaus, John M

“…Compound 1a (LY334370), a selective 5-HT1F receptor agonist (SSOFRA), inhibited dural inflammation in the neurogenic plasma protein extravasation model of…”
Get full text

Biochemical and kinetic characterization of BACE1: investigation into the putative species‐specificity for β‐ and β′‐cleavage sites by human and murine BACE1 by Yang, Hsiu‐Chiung, Chai, Xiyun, Mosior, Marian, Kohn, Wayne, Boggs, Leonard N., Erickson, Jon A., McClure, Don B., Yeh, Wu‐Kuang, Zhang, Lianshen, Gonzalez‐DeWhitt, Patricia, Mayer, John P., Martin, Jose Alfredo, Hu, Jingdan, Chen, Shu‐hui, Bueno, Ana Belen, Little, Sheila P., McCarthy, James R., May, Patrick C.

“…β‐amyloid peptides (Aβ) are produced by a sequential cleavage of amyloid precursor protein (APP) by β‐ and γ‐secretases. The lack of Aβ production in beta‐APP…”
Get full text

Homology model directed alignment selection for comparative molecular field analysis: application to photosystem II inhibitors by Jalaie, M, Erickson, J A

“…The use of a computational docking protocol in conjunction with a protein homology model to derive molecular alignments for Comparative Molecular Field…”
Get full text

The Stereochemical Outcome of Electrophilic Addition Reactions on the 5,6-Double Bond in the Spinosyns by De Amicis, Carl V, Graupner, Paul R, Erickson, Jon A, Paschal, Jonathon W, Kirst, Herbert A, Creemer, Lawrence C, Fanwick, Phillip E

“…The electrophilic addition of reagents to the 5,6-double bond in spinosyn A and spinosyn D systems occurred with high π-diastereofacial selectivity. Addition…”
Get full text

Theoretical Studies of Thermal Syn Elimination Reactions. The Relative Rates of Ethyl Formate, Ethyl Xanthate, and Ethyl Phosphinate Eliminations by Erickson, Jon A, Kahn, Scott D

Get full text

Solid-Phase Synthesis of Novel Trimers Containing a Phenylstatine Core and Analysis by High-Resolution Magic Angle Spinning by Taboada, Lorena, Prieto, Lourdes, Vidal, Paloma, Espinosa, Juan F, Erickson, Jon A

“…Here we describe a multistep solid-phase synthetic approach for the addition of amino acid residues to both the C- and N-termini of a phenylstatine core,…”
Get full text