Search Results - "Swain, Christopher J"

Prediction of pKa Values for Druglike Molecules Using Semiempirical Quantum Chemical Methods by Jensen, Jan H, Swain, Christopher J, Olsen, Lars

“…Rapid yet accurate pKa prediction for druglike molecules is a key challenge in computational chemistry. This study uses PM6-DH+/COSMO, PM6/COSMO, PM7/COSMO,…”
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Prediction of pK a Values for Druglike Molecules Using Semiempirical Quantum Chemical Methods by Jensen, Jan H., Swain, Christopher J., Olsen, Lars

“…Rapid yet accurate pK a prediction for druglike molecules is a key challenge in computational chemistry. This study uses PM6-DH+/COSMO, PM6/COSMO, PM7/COSMO,…”
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Molecular Docking with Open Access Software: Development of an Online Laboratory Handbook and Remote Workflow for Chemistry and Pharmacy Master’s Students to Undertake Computer-Aided Drug Design by Clent, Bethanie A, Wang, Yuhang, Britton, Hugh C, Otto, Frank, Swain, Christopher J, Todd, Matthew H, Wilden, Jonathan D, Tabor, Alethea B

“…In response to the closure of many university laboratories due to the Covid-19 pandemic in 2020, a handbook and remote webinar approach designed to support…”
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Bifunctional crosslinking ligands for transthyretin by Mangione, P. Patrizia, Deroo, Stéphanie, Ellmerich, Stephan, Bellotti, Vittorio, Kolstoe, Simon, Wood, Stephen P., Robinson, Carol V., Smith, Martin D., Tennent, Glenys A., Broadbridge, Robert J., Council, Claire E., Thurston, Joanne R., Steadman, Victoria A., Vong, Antonio K., Swain, Christopher J., Pepys, Mark B., Taylor, Graham W.

“…Wild-type and variant forms of transthyretin (TTR), a normal plasma protein, are amyloidogenic and can be deposited in the tissues as amyloid fibrils causing…”
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Synthesis and structure-activity relationships of 8-azabicyclo[3.2.1]octane benzylamine NK1 antagonists by THOMSON, Christopher G, CARLSON, Emma, CHICCHI, Gary G, KULAGOWSKI, Janusz J, KURTZ, Marc M, SWAIN, Christopher J, TSAO, Kwei-Lan C, WHEELDON, Alan

“…A series of 8-azabicyclo[3.2.1]octane amine hNK1 antagonists has been investigated and structure-activity relationships of the benzylamine and 6-exo…”
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Open Source Antibiotics: Simple Diarylimidazoles Are Potent against Methicillin-Resistant Staphylococcus aureus by Klug, Dana M, Tse, Edwin G, Silva, Daniel G, Cao, Yafeng, Charman, Susan A, Chauhan, Jyoti, Crighton, Elly, Dichiara, Maria, Drake, Chris, Drewry, David, da Silva Emery, Flavio, Ferrins, Lori, Graves, Lee, Hopkins, Emily, Kresina, Thomas A C, Lorente-Macías, Álvaro, Perry, Benjamin, Phipps, Richard, Quiroga, Bruno, Quotadamo, Antonio, Sabatino, Giada N, Sama, Anthony, Schätzlein, Andreas, Simpson, Quillon J, Steele, Jonathan, Shanu-Wilson, Julia, Sjö, Peter, Stapleton, Paul, Swain, Christopher J, Vaideanu, Alexandra, Xie, Huanxu, Zuercher, William, Todd, Matthew H

“…Antimicrobial resistance (AMR) is widely acknowledged as one of the most serious public health threats facing the world, yet the private sector finds it…”
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Escaping from Flatland: Antimalarial Activity of sp3‑Rich Bridged Pyrrolidine Derivatives by Cox, Brian, Duffy, James, Zdorichenko, Victor, Bellanger, Corentin, Hurcum, Jessica, Laleu, Benoît, Booker-Milburn, Kevin I, Elliott, Luke D, Robertson-Ralph, Michael, Swain, Christopher J, Bishop, Stephen J, Hallyburton, Irene, Anderson, Mark

“…We utilized synthetic photochemistry to generate novel sp3-rich scaffolds and report the design, synthesis, and biological testing of a diverse series of…”
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Escaping from Flatland: Antimalarial Activity of sp 3 -Rich Bridged Pyrrolidine Derivatives by Cox, Brian, Duffy, James, Zdorichenko, Victor, Bellanger, Corentin, Hurcum, Jessica, Laleu, Benoît, Booker-Milburn, Kevin I, Elliott, Luke D, Robertson-Ralph, Michael, Swain, Christopher J, Bishop, Stephen J, Hallyburton, Irene, Anderson, Mark

“…We utilized synthetic photochemistry to generate novel sp -rich scaffolds and report the design, synthesis, and biological testing of a diverse series of…”
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Stereocontrolled Syntheses of Epimeric 3-Aryl-6-phenyl-1-oxa-7-azaspiro[4.5]decane NK-1 Receptor Antagonist Precursors by Kulagowski, Janusz J, Curtis, Neil R, Swain, Christopher J, Williams, Brian J

“…Complementary stereoselective syntheses of individual C3 epimers of the NK-1 receptor antagonist precursor 1 have been developed. Both diastereomers were…”
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Distinct Mechanism for Antidepressant Activity by Blockade of Central Substance P Receptors by Kramer, Mark S., Cutler, Neal, Feighner, John, Shrivastava, Ram, Carman, John, Sramek, John J., Reines, Scott A., Liu, Guanghan, Snavely, Duane, Wyatt-Knowles, Edwina, Hale, Jeffrey J., Mills, Sander G., MacCoss, Malcolm, Swain, Christopher J., Harrison, Timothy, Hill, Raymond G., Hefti, Franz, Scolnick, Edward M., Cascieri, Margaret A., Chicchi, Gary G., Sadowski, Sharon, Williams, Angela R., Hewson, Louise, Smith, David, Carlson, Emma J., Hargreaves, Richard J., Nadia M. J. Rupniak

“…The localization of substance P in brain regions that coordinate stress responses and receive convergent monoaminergic innervation suggested that substance P…”
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4,4-Disubstituted cyclohexylamine NK1 receptor antagonists II by COOPER, Laura C, CARLSON, Emma J, RYCROFT, Wayne, TSAO, Kwei-Lan, SWAIN, Christopher J, CASTRO, Jose L, CHICCHI, Gary G, DINNELL, Kevin, DI SALVO, Jerry, ELLIOTT, Jason M, HOLLINGWORTH, Gregory J, KURTZ, Marc M, RIDGILL, Mark P

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Spirocyclic NK1 antagonists II: [4.5]-Spiroethers by WILLIAMS, Brian J, CASCIERI, Margaret A, CHICCHI, Gary G, HARRISON, Timothy, OWENS, Andrew P, OWEN, Simon N, RUPNIAK, Nadia M. J, TATTERSALL, David F, WILLIAMS, Angela, SWAIN, Christopher J

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Evidence for an enhancement of excitatory transmission in adult CNS by Wnt signaling pathway modulation by Beaumont, Vahri, Thompson, Sally-Anne, Choudhry, Fahd, Nuthall, Hugh, Glantschnig, Helmut, Lipfert, Lorraine, David, Gabriela R., Swain, Christopher J., McAllister, George, Munoz-Sanjuan, Ignacio

“…The role for Wnt signaling modulation during synaptogenesis, neurogenesis and cell fate specification have been well characterized. In contrast, the roles for…”
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Identification and optimisation of 5-amino-7-aryldihydro-1,4-diazepines as 5-HT2A ligands by SWAIN, Christopher J, TERAN, Ana, MAROTO, Marta, CABELLO, Angeles

“…A several series of low molecular weight 5-HT(2A) leads were identified from an analysis of HTS data, the exploration of SAR and optimization of one series…”
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2-Aryl indole NK1 receptor antagonists : Optimisation of indole substitution by COOPER, Laura C, CHICCHI, Gary G, WATT, Alan P, WILLIAMS, Angela R, SWAIN, Christopher J, DINNELL, Kevin, ELLIOTT, Jason M, HOLLINGWORTH, Gregory J, KURTZ, Mare M, LOCKER, Karen L, MORRISON, Denise, SHAW, Duncan E, TSAO, Kwei-Lan

“…The synthesis and biological evaluation of a series of 2-aryl indoles with high affinity for the human neurokinin-1 (hNK1) receptor are reported, concentrating…”
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An Orally Active, Water-Soluble Neurokinin-1 Receptor Antagonist Suitable for Both Intravenous and Oral Clinical Administration by Harrison, Timothy, Owens, Andrew P, Williams, Brian J, Swain, Christopher J, Williams, Angela, Carlson, Emma J, Rycroft, Wayne, Tattersall, F. David, Cascieri, Margaret A, Chicchi, Gary G, Sadowski, Sharon, Rupniak, Nadia M. J, Hargreaves, Richard J

“…1-(5-{[(2R,3S)-2-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl}oxy)-3-(4-fluorophenyl)morpholin-4-yl]methyl}-2H-1,2,3-triazol-4-yl)-N, N-dimethylmethanamine…”
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2-Aryl indole NK1 receptor antagonists : Optimisation of the 2-aryl ring and the indole nitrogen substituent by DINNELL, Kevin, CHICCHI, Gary G, SWAIN, Christopher J, DHAR, Madhumeeta J, ELLIOTT, Jason M, HOLLINGWORTH, Gregory J, KURTZ, Marc M, RIDGILL, Mark P, RYCROFT, Wayne, TSAO, Kwei-Lan, WILLIAMS, Angela R

“…Novel 2-aryl indole hNK1 receptor ligands were prepared utilising palladium cross-coupling chemistry of a late intermediate as a key step. Compounds with high…”
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In vitro and in vivo predictors of the anti-emetic activity of tachykinin NK1 receptor antagonists by RUPNIAK, N. M. J, TATTERSALL, F. D, MACCOSS, M, SEWARD, E, HUSCROFT, I, OWEN, S, SWAIN, C. J, HILL, R. G, HARGREAVES, R. J, WILLIAMS, A. R, RYCROFT, W, CARLSON, E. J, CASCIERI, M. A, SADOWSKI, S, BER, E, HALE, J. J, MILLS, S. G

“…The ability of tachykinin NK1 receptor antagonists to inhibit GR73632 (D-Ala-[L-Pro9,Me-Leu8]substance P-(7-11))-induced foot tapping in gerbils was employed…”
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Spirocyclic NK1 antagonists I:[4.5] and [5.5]-spiroketals by SEWARD, Eileen M, CARLSON, Emma, SADOWSKI, Sharon J, SWAIN, Christopher J, WILLIAMS, Brian J, HARRISON, Timothy, HAWORTH, Karen E, HERBERT, Richard, KELLEHER, Fintan J, KURTZ, Marc M, MOSELEY, Jonathan, OWEN, Simon N, OWENS, Andrew P

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Novel lactam NK1 antagonists with anti-emetic activity by HOLLINGWORTH, Gregory J, CARLSON, Emma J, KURTZ, Marc M, RYCROFT, Wayne, TATTERSALL, F. David, TSAO, Kwei-Lan, SWAIN, Christopher J, CASTRO, José L, CHICCHI, Gary G, CLARK, Natalie, COOPER, Laura C, DIRAT, Olivier, DI SALVO, Jerry, ELLIOTT, Jason M, KILBURN, Ruth

“…A series of 4,4-disubstituted cyclohexylamine NK(1) antagonists containing a lactam ring is described. The compounds are brain penetrant and activity is…”
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