From ATP to AZD6140: the discovery of an orally active reversible P2Y12 receptor antagonist for the prevention of thrombosis
…, DF McGinnity, MP Mortimore, SW Paine… - Bioorganic & medicinal …, 2007 - Elsevier
Starting from adenosine triphosphate (ATP), the identification of a novel series of P2Y 12
receptor antagonists and exploitation of their SAR is described. Modifications of the acidic side …
receptor antagonists and exploitation of their SAR is described. Modifications of the acidic side …
Prediction of human renal clearance from preclinical species for a diverse set of drugs that exhibit both active secretion and net reabsorption
SW Paine, K Ménochet, R Denton, DF McGinnity… - Drug metabolism and …, 2011 - ASPET
Identifying any extrahepatic excretion phenomenon in preclinical species is crucial for an
accurate prediction of the pharmacokinetics in man. This understanding is particularly key for …
accurate prediction of the pharmacokinetics in man. This understanding is particularly key for …
Prediction of the pharmacokinetics of atorvastatin, cerivastatin, and indomethacin using kinetic models applied to isolated rat hepatocytes
SW Paine, AJ Parker, P Gardiner, PJH Webborn… - Drug Metabolism and …, 2008 - ASPET
The disposition of atorvastatin, cerivastatin, and indomethacin, established substrates of rat
hepatic basolateral uptake transporters, has been evaluated in suspended rat hepatocytes. …
hepatic basolateral uptake transporters, has been evaluated in suspended rat hepatocytes. …
In Silico Human and Rat Vss Quantitative Structure−Activity Relationship Models
MP Gleeson, NJ Waters, SW Paine… - Journal of medicinal …, 2006 - ACS Publications
We present herein a QSAR tool enabling an entirely in silico prediction of human and rat
steady-state volume of distribution (V ss ), to be made prior to chemical synthesis, preceding …
steady-state volume of distribution (V ss ), to be made prior to chemical synthesis, preceding …
Species differences in biliary clearance and possible relevance of hepatic uptake and efflux transporters involvement
K Grime, SW Paine - Drug Metabolism and Disposition, 2013 - ASPET
From a search of the available literature, a database of 22 drugs of all charge types and
several different therapeutic classes was compiled to compare rat and human biliary clearance …
several different therapeutic classes was compiled to compare rat and human biliary clearance …
Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models
MP Gleeson, AM Davis, KK Chohan, SW Paine… - Journal of computer …, 2007 - Springer
In-silico models were generated to predict the extent of inhibition of cytochrome P450
isoenzymes using a set of relatively interpretable descriptors in conjunction with partial least …
isoenzymes using a set of relatively interpretable descriptors in conjunction with partial least …
A rapid computational filter for cytochrome P450 1A2 inhibition potential of compound libraries
KK Chohan, SW Paine, J Mistry, P Barton… - Journal of medicinal …, 2005 - ACS Publications
QSAR models for a diverse set of compounds for cytochrome P450 1A2 inhibition have
been produced using 4 statistical approaches; partial least squares (PLS), multiple linear …
been produced using 4 statistical approaches; partial least squares (PLS), multiple linear …
A rapid computational filter for predicting the rate of human renal clearance
SW Paine, P Barton, J Bird, R Denton… - Journal of Molecular …, 2010 - Elsevier
In silico models that predict the rate of human renal clearance for a diverse set of drugs, that
exhibit both active secretion and net re-absorption, have been produced using three …
exhibit both active secretion and net re-absorption, have been produced using three …
Discovery of potent CRTh2 (DP2) receptor antagonists
…, EC Arrowsmith, JJ Carrillo, FM Bell, SW Paine… - Bioorganic & medicinal …, 2006 - Elsevier
Starting with the weak agonist indomethacin, a series of potent, selective CRTh2 (DP2)
antagonists have been discovered as potential treatments for asthma, allergic rhinitis and …
antagonists have been discovered as potential treatments for asthma, allergic rhinitis and …
Quantitative structure activity relationships in drug metabolism
KK Chohan, SW Paine… - Current topics in medicinal …, 2006 - ingentaconnect.com
This review of 61 references delineates contemporary computation quantitative structure
activity relationship (QSAR) approaches that have been used to elucidate the molecular …
activity relationship (QSAR) approaches that have been used to elucidate the molecular …