Correlation of human jejunal permeability (in vivo) of drugs with experimentally and theoretically derived parameters. A multivariate data analysis approach S Winiwarter, NM Bonham, F Ax, A Hallberg, H Lennernäs, A Karlén Journal of medicinal chemistry 41 (25), 4939-4949, 1998 | 567 | 1998 |
Structure− brain exposure relationships in rat and human using a novel data set of unbound drug concentrations in brain interstitial and cerebrospinal fluids M Fridén, S Winiwarter, G Jerndal, O Bengtsson, H Wan, U Bredberg, ... Journal of medicinal chemistry 52 (20), 6233-6243, 2009 | 242 | 2009 |
Acyl sulfonamides as potent protease inhibitors of the hepatitis C virus full-Length NS3 (protease-helicase/NTPase): a comparative study of different C-terminals A Johansson, A Poliakov, E Åkerblom, K Wiklund, G Lindeberg, ... Bioorganic & medicinal chemistry 11 (12), 2551-2568, 2003 | 175 | 2003 |
SPR biosensor studies of the direct interaction between 27 drugs and a liposome surface: correlation with fraction absorbed in humans E Danelian, A Karlén, R Karlsson, S Winiwarter, A Hansson, S Löfås, ... Journal of medicinal chemistry 43 (11), 2083-2086, 2000 | 163 | 2000 |
In Silico Absorption, Distribution, Metabolism, Excretion, and Pharmacokinetics (ADME-PK): Utility and Best Practices. An Industry Perspective from the International … F Lombardo, PV Desai, R Arimoto, KE Desino, H Fischer, CE Keefer, ... Journal of Medicinal Chemistry 60 (22), 9097-9113, 2017 | 136 | 2017 |
Hydrogen bonding descriptors in the prediction of human in vivo intestinal permeability S Winiwarter, F Ax, H Lennernäs, A Hallberg, C Pettersson, A Karlén Journal of Molecular Graphics and Modelling 21 (4), 273-287, 2003 | 121 | 2003 |
Improving the accuracy of predicted human pharmacokinetics: lessons learned from the AstraZeneca drug pipeline over two decades M Davies, RDO Jones, K Grime, R Jansson-Löfmark, AJ Fretland, ... Trends in pharmacological sciences 41 (6), 390-408, 2020 | 93 | 2020 |
Synthesis and structure-activity relationships of deazaxanthines: analogs of potent A1-and A2-adenosine receptor antagonists B Grahner, S Winiwarter, W Lanzner, CE Mueller Journal of medicinal chemistry 37 (10), 1526-1534, 1994 | 87 | 1994 |
In vitro intrinsic permeability: a transporter-independent measure of Caco-2 cell permeability in drug design and development L Fredlund, S Winiwarter, C Hilgendorf Molecular pharmaceutics 14 (5), 1601-1609, 2017 | 84 | 2017 |
In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms H Chen, S Winiwarter, M Fridén, M Antonsson, O Engkvist Journal of Molecular Graphics and Modelling 29 (8), 985-995, 2011 | 70 | 2011 |
Presentation of a structurally diverse and commercially available drug data set for correlation and benchmarking studies C Sköld, S Winiwarter, J Wernevik, F Bergström, L Engström, R Allen, ... Journal of medicinal chemistry 49 (23), 6660-6671, 2006 | 67 | 2006 |
Use of HμREL human coculture system for prediction of intrinsic clearance and metabolite formation for slowly metabolized compounds I Hultman, C Vedin, A Abrahamsson, S Winiwarter, M Darnell Molecular pharmaceutics 13 (8), 2796-2807, 2016 | 53 | 2016 |
Use of molecular descriptors for absorption, distribution, metabolism, and excretion predictions S Winiwarter, M Ridderström, AL Ungell, TB Andersson, I Zamora Elsevier, 2007 | 52 | 2007 |
Inhibition of hepatitis C virus NS3 protease activity by product-based peptides is dependent on helicase domain A Johansson, I Hubatsch, E Åkerblom, G Lindeberg, S Winiwarter, ... Bioorganic & medicinal chemistry letters 11 (2), 203-206, 2001 | 50 | 2001 |
Tetrapeptides as potent protease inhibitors of hepatitis C virus full-length NS3 (protease-helicase/NTPase) A Johansson, A Poliakov, E Åkerblom, G Lindeberg, S Winiwarter, ... Bioorganic & medicinal chemistry 10 (12), 3915-3922, 2002 | 49 | 2002 |
Exploring in silico prediction of the unbound brain-to-plasma drug concentration ratio: model validation, renewal, and interpretation S Varadharajan, S Winiwarter, L Carlsson, O Engkvist, A Anantha, ... Journal of Pharmaceutical Sciences 104 (3), 1197-1206, 2015 | 44 | 2015 |
Discovery of AZD6642, an inhibitor of 5-lipoxygenase activating protein (FLAP) for the treatment of inflammatory diseases M Lemurell, J Ulander, S Winiwarter, A Dahlen, O Davidsson, ... Journal of Medicinal Chemistry 58 (2), 897-911, 2015 | 40 | 2015 |
Prediction of in vivo pharmacokinetic parameters and time–exposure curves in rats using machine learning from the chemical structure O Obrezanova, A Martinsson, T Whitehead, S Mahmoud, A Bender, ... Molecular pharmaceutics 19 (5), 1488-1504, 2022 | 39 | 2022 |
Prediction of fraction unbound in microsomal and hepatocyte incubations: a comparison of methods across industry datasets S Winiwarter, G Chang, P Desai, K Menzel, B Faller, R Arimoto, C Keefer, ... Molecular Pharmaceutics 16 (9), 4077-4085, 2019 | 26 | 2019 |
Resolving the distribution–metabolism interplay of eight OATP substrates in the standard clearance assay with suspended human cryopreserved hepatocytes P Nordell, S Winiwarter, C Hilgendorf Molecular pharmaceutics 10 (12), 4443-4451, 2013 | 25 | 2013 |