Christel A S Bergström

Summary

Affiliation: Uppsala University
Country: Sweden

Publications

  1. pmc Computational prediction of drug solubility in fasted simulated and aspirated human intestinal fluid
    Jonas H Fagerberg
    Department of Pharmacy, Uppsala University, Biomedical Centre, P O Box 580, SE 751 23, Uppsala, Sweden
    Pharm Res 32:578-89. 2015
  2. doi request reprint Is the full potential of the biopharmaceutics classification system reached?
    Christel A S Bergström
    Department of Pharmacy, Uppsala University, Biomedical Centre, P O Box 580, SE 751 23 Uppsala, Sweden Electronic address
    Eur J Pharm Sci 57:224-31. 2014
  3. doi request reprint Early pharmaceutical profiling to predict oral drug absorption: current status and unmet needs
    Christel A S Bergström
    Department of Pharmacy, Uppsala University, Biomedical Centre P O Box 580, SE 751 23 Uppsala, Sweden Electronic address
    Eur J Pharm Sci 57:173-99. 2014
  4. ncbi request reprint Poorly soluble marketed drugs display solvation limited solubility
    Christel A S Bergström
    Pharmaceutical Screening and Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Centre, Post Office Box 580, SE 751 23 Uppsala, Sweden
    J Med Chem 50:5858-62. 2007
  5. doi request reprint Hepatitis C virus NS3 protease inhibitors: large, flexible molecules of peptide origin show satisfactory permeability across Caco-2 cells
    Christel A S Bergström
    Pharmaceutical Screening and Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 751 23 Uppsala, Sweden
    Eur J Pharm Sci 38:556-63. 2009
  6. ncbi request reprint In silico predictions of drug solubility and permeability: two rate-limiting barriers to oral drug absorption
    Christel A S Bergström
    Center of Pharmaceutical Informatics, Department of Pharmacy, Uppsala University, BMC, P O Box 580, SE 751 23 Uppsala, Sweden
    Basic Clin Pharmacol Toxicol 96:156-61. 2005
  7. ncbi request reprint Experimental and computational screening models for prediction of aqueous drug solubility
    Christel A S Bergström
    Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, Sweden
    Pharm Res 19:182-8. 2002
  8. ncbi request reprint Absorption classification of oral drugs based on molecular surface properties
    Christel A S Bergström
    Center of Pharmaceutical Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 751 23 Uppsala, Sweden
    J Med Chem 46:558-70. 2003
  9. ncbi request reprint Exploring the role of different drug transport routes in permeability screening
    Pär Matsson
    Center of Pharmaceutical Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 751 23 Uppsala, Sweden
    J Med Chem 48:604-13. 2005
  10. doi request reprint Identification of novel specific and general inhibitors of the three major human ATP-binding cassette transporters P-gp, BCRP and MRP2 among registered drugs
    Pär Matsson
    Pharmaceutical Screening and Informatics, Department of Pharmacy, Uppsala University, P O Box 580, 751 23, Uppsala, Sweden
    Pharm Res 26:1816-31. 2009

Collaborators

Detail Information

Publications36

  1. pmc Computational prediction of drug solubility in fasted simulated and aspirated human intestinal fluid
    Jonas H Fagerberg
    Department of Pharmacy, Uppsala University, Biomedical Centre, P O Box 580, SE 751 23, Uppsala, Sweden
    Pharm Res 32:578-89. 2015
    ..To develop predictive models of apparent solubility (Sapp) of lipophilic drugs in fasted state simulated intestinal fluid (FaSSIF) and aspirated human intestinal fluid (HIF)...
  2. doi request reprint Is the full potential of the biopharmaceutics classification system reached?
    Christel A S Bergström
    Department of Pharmacy, Uppsala University, Biomedical Centre, P O Box 580, SE 751 23 Uppsala, Sweden Electronic address
    Eur J Pharm Sci 57:224-31. 2014
    ..The analysis presented herein further strengthens the discussion on the requirement of more physiologically relevant dissolution media for the in vitro solubility classification performed to reach the full potential of the BCS. ..
  3. doi request reprint Early pharmaceutical profiling to predict oral drug absorption: current status and unmet needs
    Christel A S Bergström
    Department of Pharmacy, Uppsala University, Biomedical Centre P O Box 580, SE 751 23 Uppsala, Sweden Electronic address
    Eur J Pharm Sci 57:173-99. 2014
    ..These methods will provide early insights into successful pathways (medicinal chemistry or formulation strategy) and are anticipated to increase the number of new APIs with good oral absorption being discovered. ..
  4. ncbi request reprint Poorly soluble marketed drugs display solvation limited solubility
    Christel A S Bergström
    Pharmaceutical Screening and Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Centre, Post Office Box 580, SE 751 23 Uppsala, Sweden
    J Med Chem 50:5858-62. 2007
    ..The analysis shows that poorly soluble drugs that have reached the market are solubility limited by solvation rather than by their solid state...
  5. doi request reprint Hepatitis C virus NS3 protease inhibitors: large, flexible molecules of peptide origin show satisfactory permeability across Caco-2 cells
    Christel A S Bergström
    Pharmaceutical Screening and Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 751 23 Uppsala, Sweden
    Eur J Pharm Sci 38:556-63. 2009
    ....
  6. ncbi request reprint In silico predictions of drug solubility and permeability: two rate-limiting barriers to oral drug absorption
    Christel A S Bergström
    Center of Pharmaceutical Informatics, Department of Pharmacy, Uppsala University, BMC, P O Box 580, SE 751 23 Uppsala, Sweden
    Basic Clin Pharmacol Toxicol 96:156-61. 2005
    ..Moreover, a virtual filter for the prediction of oral drug developability based on the successful combination of in vitro and in silico models of drug permeability and aqueous drug solubility will be discussed...
  7. ncbi request reprint Experimental and computational screening models for prediction of aqueous drug solubility
    Christel A S Bergström
    Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, Sweden
    Pharm Res 19:182-8. 2002
    ..To devise experimental and computational models to predict aqueous drug solubility...
  8. ncbi request reprint Absorption classification of oral drugs based on molecular surface properties
    Christel A S Bergström
    Center of Pharmaceutical Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 751 23 Uppsala, Sweden
    J Med Chem 46:558-70. 2003
    ..We conclude that PLS models of easily comprehended molecular surface properties can be used to rapidly provide absorption profiles of druglike molecules early on in drug discovery...
  9. ncbi request reprint Exploring the role of different drug transport routes in permeability screening
    Pär Matsson
    Center of Pharmaceutical Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 751 23 Uppsala, Sweden
    J Med Chem 48:604-13. 2005
    ....
  10. doi request reprint Identification of novel specific and general inhibitors of the three major human ATP-binding cassette transporters P-gp, BCRP and MRP2 among registered drugs
    Pär Matsson
    Pharmaceutical Screening and Informatics, Department of Pharmacy, Uppsala University, P O Box 580, 751 23, Uppsala, Sweden
    Pharm Res 26:1816-31. 2009
    ..To study the inhibition patterns of the three major human ABC transporters P-gp (ABCB1), BCRP (ABCG2) and MRP2 (ABCC2), using a dataset of 122 structurally diverse drugs...
  11. ncbi request reprint Theoretical predictions of drug absorption in drug discovery and development
    Patric Stenberg
    Department of Pharmaceutics, Uppsala Biomedical Center, Uppsala University, Uppsala, Sweden
    Clin Pharmacokinet 41:877-99. 2002
    ..Further, an increased fraction of drug candidates that are less likely to fail during clinical development will be selected...
  12. ncbi request reprint Global and local computational models for aqueous solubility prediction of drug-like molecules
    Christel A S Bergström
    Center for Pharmaceutical Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 751 23 Uppsala, Sweden
    J Chem Inf Comput Sci 44:1477-88. 2004
    ....
  13. doi request reprint Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1
    Gustav Ahlin
    Department of Pharmacy, Uppsala University, Uppsala, Sweden
    J Med Chem 51:5932-42. 2008
    ..The data were used to generate OPLS-DA models for OCT1 inhibitors; the final model correctly predicted 82% of the inhibitors and 88% of the noninhibitors of the test set...
  14. doi request reprint A modified physiological BCS for prediction of intestinal absorption in drug discovery
    Noha M Zaki
    The Uppsala University Drug Optimization and Pharmaceutical Profiling Platform, Department of Pharmacy, Uppsala University, Biomedical Center P O Box 580, SE 751 23 Uppsala, Sweden
    Mol Pharm 7:1478-87. 2010
    ....
  15. ncbi request reprint Molecular descriptors influencing melting point and their role in classification of solid drugs
    Christel A S Bergström
    Center of Pharmaceutical Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 751 23 Uppsala, Sweden
    J Chem Inf Comput Sci 43:1177-85. 2003
    ..Finally, a mechanism for the relation between the molecular descriptors and their effect on the melting point and the aqueous solubility was proposed...
  16. doi request reprint Optimizing solubility and permeability of a biopharmaceutics classification system (BCS) class 4 antibiotic drug using lipophilic fragments disturbing the crystal lattice
    Ulrika Tehler
    Uppsala University Drug Optimization and Pharmaceutical Profiling Platform, Department of Pharmacy, Uppsala Biomedical Center, Uppsala University, P O Box 580, SE 751 23 Uppsala, Sweden
    J Med Chem 56:2690-4. 2013
    ..These structural changes resulted in BCS class 1 analogues (high solubility/high permeability) emphasizing that simple medicinal chemistry may improve both these properties...
  17. doi request reprint Molecular characteristics for solid-state limited solubility
    Carola M Wassvik
    Pharmaceutical Screening and Informatics, Department of Pharmacy, Uppsala University, Uppsala Biomedical Centere, Uppsala, Sweden
    J Med Chem 51:3035-9. 2008
    ..These descriptors successfully predicted the applied test set and can be useful for avoiding synthesis of compounds behaving like "brick dust"...
  18. pmc Computational prediction of drug solubility in lipid based formulation excipients
    Linda C Persson
    Department of Pharmacy, Drug Optimization and Pharmaceutical Profiling Platform Uppsala University, Uppsala Biomedical Center, P O Box 580, 751 23, Uppsala, Sweden
    Pharm Res 30:3225-37. 2013
    ..To investigate if drug solubility in pharmaceutical excipients used in lipid based formulations (LBFs) can be predicted from physicochemical properties...
  19. doi request reprint Dissolution rate and apparent solubility of poorly soluble drugs in biorelevant dissolution media
    Jonas H Fagerberg
    The Uppsala University Drug Optimization and Pharmaceutical Profiling Platform, Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 751 23 Uppsala, Sweden
    Mol Pharm 7:1419-30. 2010
    ..Moreover, the results herein indicate that the improvement obtained in BDM may be possible to predict from chemical features alone...
  20. ncbi request reprint Contribution of solid-state properties to the aqueous solubility of drugs
    Carola M Wassvik
    Department of Pharmacy, Uppsala University, P O Box 580, SE 75123 Uppsala, Sweden
    Eur J Pharm Sci 29:294-305. 2006
    ..In addition our study provides accurate experimental data on intrinsic solubility for 26 compounds, supplying a useful external data set for validation of drug solubility models...
  21. ncbi request reprint Accuracy of calculated pH-dependent aqueous drug solubility
    Christel A S Bergström
    Department of Pharmacy, Center of Pharmaceutical Informatics, Uppsala Biomedical Center, Uppsala University, P O Box 580, SE 751 23 Uppsala, Sweden
    Eur J Pharm Sci 22:387-98. 2004
    ....
  22. ncbi request reprint Computational models to predict aqueous drug solubility, permeability and intestinal absorption
    Christel A S Bergström
    Uppsala University, Center of Pharmaceutical Informatics, Department of Pharmacy, Biomedical Centre, PO Box 580, SE 751 23 Uppsala, Sweden
    Expert Opin Drug Metab Toxicol 1:613-27. 2005
    ..In this review, the databases and techniques used for the development of in silico absorption models will be discussed. The focus is on aqueous drug solubility, which has become a major problem in drug development...
  23. doi request reprint Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2)
    Jenny M Pedersen
    Pharmaceutical Screening and Informatics, Department of Pharmacy, Uppsala University, Biomedical Center, Uppsala, Sweden
    J Med Chem 51:3275-87. 2008
    ..The developed computational model is applicable in an early stage of the drug discovery process and is proposed as a tool for prediction of MRP2-mediated hepatic drug interactions and toxicity...
  24. pmc Early identification of clinically relevant drug interactions with the human bile salt export pump (BSEP/ABCB11)
    Jenny M Pedersen
    Department of Pharmacy, Uppsala University, SE 751 23 Uppsala, Sweden
    Toxicol Sci 136:328-43. 2013
    ..In conclusion, BSEP inhibition in membrane vesicles was found to correlate to DILI severity, and altered disposition of TA in SCHH was shown to separate BSEP inhibitors associated with severe DILI from those with no or mild DILI...
  25. doi request reprint Computational prediction of CNS drug exposure based on a novel in vivo dataset
    Christel A S Bergström
    Department of Pharmacy Drug Optimization and Pharmaceutical Profiling Platform, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 751 23, Uppsala, Sweden
    Pharm Res 29:3131-42. 2012
    ..To develop a computational model for predicting CNS drug exposure using a novel in vivo dataset...
  26. pmc In vitro and in silico strategies to identify OATP1B1 inhibitors and predict clinical drug-drug interactions
    Maria Karlgren
    Uppsala University Drug Optimization and Pharmaceutical Profiling Platform, Department of Pharmacy, Uppsala University, The Biomedical Centre, P O Box 580, 751 23, Uppsala, Sweden
    Pharm Res 29:411-26. 2012
    ..To establish in vitro and in silico models that predict clinical drug-drug interactions (DDIs) with the OATP1B1 (SLCO1B1) transporter...
  27. doi request reprint Toward in silico prediction of glass-forming ability from molecular structure alone: a screening tool in early drug development
    Denny Mahlin
    Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 75123 Uppsala, Sweden
    Mol Pharm 8:498-506. 2011
    ..The model allows an assessment of amorphization as a formulation strategy in the early drug development process, and can be applied before compound synthesis...
  28. pmc Structural features determining the intestinal epithelial permeability and efflux of novel HIV-1 protease inhibitors
    Lucia Lazorova
    Department of Pharmacy, Uppsala University, SE 751 23 Uppsala, Sweden
    J Pharm Sci 100:3763-72. 2011
    ....
  29. ncbi request reprint A global drug inhibition pattern for the human ATP-binding cassette transporter breast cancer resistance protein (ABCG2)
    Pär Matsson
    Pharmaceutical Screening and Informatics, Department of Pharmacy, Uppsala University, P O Box 580, SE 751 23 Uppsala, Sweden
    J Pharmacol Exp Ther 323:19-30. 2007
    ....
  30. doi request reprint Experimental and computational prediction of glass transition temperature of drugs
    Ahmad Alzghoul
    Department of Information Technology, Uppsala University, P O Box 337, SE 751 05 Uppsala, Sweden
    J Chem Inf Model 54:3396-403. 2014
    ..However, the results also suggest that support vector regression and calculated molecular descriptors can predict Tg with equal accuracy, already before compound synthesis. ..
  31. doi request reprint Early drug development predictions of glass-forming ability and physical stability of drugs
    Denny Mahlin
    Department of Pharmacy, Uppsala University, Uppsala, Sweden
    Eur J Pharm Sci 49:323-32. 2013
    ..These findings have the potential to rationalize decisions schemes for utilizing and developing amorphous formulations, through early predictions of glass-forming ability from Mw and physical stability from simple DSC characterization...
  32. ncbi request reprint The importance of gel properties for mucoadhesion measurements: a multivariate data analysis approach
    Helene Hägerström
    Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, Box 580, SE 751 23 Uppsala, Sweden
    J Pharm Pharmacol 56:161-8. 2004
    ....
  33. pmc Formulation of the Microbicide INP0341 for In Vivo Protection against a Vaginal Challenge by Chlamydia trachomatis
    Christian Pedersen
    Department of Pharmacy, Uppsala University, Biomedical Center, Uppsala, Sweden
    PLoS ONE 9:e110918. 2014
    ..Therefore, the gel formulation described here appears to be a promising vaginal microbicide to prevent a C. trachomatis infection with the potential to be expanded to other sexually transmitted diseases. ..
  34. doi request reprint Ethanol effects on apparent solubility of poorly soluble drugs in simulated intestinal fluid
    Jonas H Fagerberg
    Uppsala University Drug Optimization and Pharmaceutical Profiling Platform, Department of Pharmacy, Uppsala University, Uppsala Biomedical Center, P O Box 580, SE 751 23 Uppsala, Sweden
    Mol Pharm 9:1942-52. 2012
    ..The results herein indicate that acidic and neutral compounds are more sensitive to the addition of ethanol than to the mixed lipid aggregates present in the fasted intestine. ..
  35. doi request reprint Computational predictions of glass-forming ability and crystallization tendency of drug molecules
    Amjad Alhalaweh
    Department of Pharmacy, Uppsala University, Uppsala Biomedical Centre, P O Box 580, SE 751 23 Uppsala, Sweden
    Mol Pharm 11:3123-32. 2014
    ..The models developed could be used in the early drug development stage to indicate whether amorphization would be a suitable formulation strategy for improving the dissolution and/or apparent solubility of poorly soluble compounds. ..
  36. doi request reprint Concomitant intake of alcohol may increase the absorption of poorly soluble drugs
    Jonas H Fagerberg
    Department of Pharmacy, Uppsala Biomedical Center, Uppsala University, P O Box 580, SE 751 23 Uppsala, Sweden
    Eur J Pharm Sci 67:12-20. 2015
    ..These results indicate that concomitant intake of alcohol may significantly increase the solubility and hence, the plasma concentration for non-ionizable, lipophilic compounds with the potential of adverse drug reactions to occur. ..