Search Results - "Wenlock, Mark"

How Experimental Errors Influence Drug Metabolism and Pharmacokinetic QSAR/QSPR Models by Wenlock, Mark C, Carlsson, Lars A

“…We consider the impact of gross, systematic, and random experimental errors in relation to their impact on the predictive ability of QSAR/QSPR DMPK models used…”
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In Silico Physicochemical Parameter Predictions by Wenlock, Mark C, Barton, Patrick

“…Drug discovery is a complex process with the aim of discovering efficacious molecules where their potency and selectivity are balanced against ADMET properties…”
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A Comparison of Physiochemical Property Profiles of Development and Marketed Oral Drugs by Wenlock, Mark C, Austin, Rupert P, Barton, Patrick, Davis, Andrew M, Leeson, Paul D

“…The process of drug discovery applies rigorous selection pressures. Marketed oral drugs will generally possess favorable physiochemical properties with respect…”
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Interpreting physicochemical experimental data sets by Colclough, Nicola, Wenlock, Mark C.

“…With the wealth of experimental physicochemical data available to chemoinformaticians from the literature, commercial, and company databases an increasing…”
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A method for measuring the lipophilicity of compounds in mixtures of 10 by Wenlock, Mark C, Potter, Tim, Barton, Patrick, Austin, Rupert P

“…Lipophilicity is an important parameter for any potential drug candidate. Accurate and efficient lipophilicity measurements facilitate the development of…”
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The Influence of Nonspecific Microsomal Binding on Apparent Intrinsic Clearance, and Its Prediction from Physicochemical Properties by AUSTIN, Rupert P, BARTON, Patrick, COCKROFT, Scott L, WENLOCK, Mark C, RILEY, Robert J

“…The apparent intrinsic clearance of 13 drugs has been determined using rat liver microsomes at three different concentrations of microsomal protein. The…”
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Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules by Luker, Tim, Alcaraz, Lilian, Chohan, Kamaldeep K., Blomberg, Niklas, Brown, Dearg S., Butlin, Roger J., Elebring, Thomas, Griffin, Andrew M., Guile, Simon, St-Gallay, Stephen, Swahn, Britt-Marie, Swallow, Steve, Waring, Michael J., Wenlock, Mark C., Leeson, Paul D.

“…A valid PLS-DA model to predict attrition in pre-clinical toxicology for basic oral candidate drugs was built. A combination of aromatic/aliphatic balance,…”
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Lipophilicity of acidic compounds: Impact of ion pair partitioning on drug design by Wenlock, Mark C., Barton, Patrick, Luker, Tim

“…In drug discovery projects the ability to show a relationship between a compound’s molecular structure and its pharmacokinetic, in vivo efficacy, or toxicity…”
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Development of Pyrazolopyrimidine Anti-Wolbachia Agents for the Treatment of Filariasis by McGillan, Paul, Berry, Neil G, Nixon, Gemma L, Leung, Suet C, Webborn, Peter J. H, Wenlock, Mark C, Kavanagh, Stefan, Cassidy, Andrew, Clare, Rachel H, Cook, Darren A, Johnston, Kelly L, Ford, Louise, Ward, Stephen A, Taylor, Mark J, Hong, W. David, O’Neill, Paul M

“…Anti-Wolbachia therapy has been identified as a viable treatment for combating filarial diseases. Phenotypic screening revealed a series of pyrazolopyrimidine…”
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A kinetic method for the determination of plasma protein binding of compounds unstable in plasma: Specific application to enalapril by Wenlock, Mark C., Barton, Patrick, Austin, Rupert P.

“…Traditional methods for the determination of plasma protein binding (PPB), such as equilibrium dialysis and ultrafiltration, normally operate on a timescale…”
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The thermodynamics of the partitioning of ionizing molecules between aqueous buffers and phospholipid membranes by Austin, Rupert P, Barton, Patrick, Davis, Andrew M, Fessey, Roger E, Wenlock, Mark C

“…To study the thermodynamics of partitioning of eight ionising dual D2-recepto beta2-adrenoceptor agonists between vesicles of…”
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Prediction of Chameleonic Efficiency by David, Laurent, Wenlock, Mark, Barton, Patrick, Ritzén, Andreas

“…Chameleonic properties, i. e., the capacity of a molecule to hide polarity in non‐polar environments and expose it in water, help achieving sufficient…”
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A Highly Automated Assay for Determining the Aqueous Equilibrium Solubility of Drug Discovery Compounds by Wenlock, Mark C., Austin, Rupert P., Potter, Tim, Barton, Patrick

“…Aqueous solubility is an important physicochemical parameter for any potential drug candidate, and high-throughput kinetic assays are frequently used in drug…”
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Selection of a screening panel of rhinoviral serotypes by Tomkinson, Nick, Wenlock, Mark, McCrae, Christopher

“…A novel methodology for the selection of a representative primary and secondary screening panel of rhinoviral serotypes for the purposes of identifying…”
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Lead optimisation of pyrazoles as novel FPR1 antagonists by Morley, Andrew D., King, Sarah, Roberts, Bryan, Lever, Sarah, Teobald, Barry, Fisher, Adrian, Cook, Tony, Parker, Beth, Wenlock, Mark, Phillips, Caroline, Grime, Ken

“…Optimisation of a series of pyrazole inhibitors of the human FPR1 receptor has been achieved. The use of an in vitro media loss assay was utilised to identify…”
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Discovery of pyrazoles as novel FPR1 antagonists by Morley, Andrew D., Cook, Andrew, King, Sarah, Roberts, Bryan, Lever, Sarah, Weaver, Richard, MacDonald, Cathy, Unitt, John, Fagura, Malbinder, Phillips, Tim, Lewis, Richard, Wenlock, Mark

“…A series of pyrazole inhibitors of the human FPR1 receptor have been identified from high throughput screening. The compounds demonstrate potent inhibition in…”
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In silico prediction of acyl glucuronide reactivity by Potter, Tim, Lewis, Richard, Luker, Tim, Bonnert, Roger, Bernstein, Michael A., Birkinshaw, Timothy N., Thom, Stephen, Wenlock, Mark, Paine, Stuart

“…Drugs and drug candidates containing a carboxylic acid moiety, including many widely used non-steroidal anti-inflammatory drugs (NSAIDs) are often metabolized…”
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