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Exploring the Brainpeps database

Sofie Stalmans UGent, Matthias D'Hondt UGent, Evelien Wynendaele UGent, Nathalie Bracke UGent and Bart De Spiegeleer UGent (2012) Signal Transduction in the Blood-Brain Barriers, 15th International symposium, Abstracts.
abstract
Since the discovery that peptides can cross the blood-brain barrier (BBB), doors have been opened to new therapeutics for CNS diseases and pain management. Recently, we have constructed the Brainpeps database (brainpeps.ugent.be) to give an overview of the available BBB transport data of peptides, which are scattered in the literature [1]. One possible application of the Brainpeps database is the study of structure-property relationships (QSPRs). Before peptides can be used as drugs, their impurity profile needs to be examined as part of the International Conference on Harmonization (ICH) risk assessment of peptide drugs. Compared to small molecules, no in-silico predictive programs are available for toxicity screening of the different peptide impurities towards passing the BBB. To predict the BBB-behaviour of peptides as well as their impurities, we explored the Brainpeps database. During this presentation, the first results of the modelling experiments are presented. Our starting hypothesis is that the interactions of peptides at the blood-brain barrier are comparable with those of peptides in HPLC systems. Therefore, we determined the retention characteristics on different fused-core HPLC systems of a set of model peptides selected from the Brainpeps database and explored the relationship between the chromatographic characteristics and their BBB-influx properties [2]. In conclusion, using the Brainpeps database and experimental HPLC data, a first step towards in-silico profiling of peptides, including their impurities, at the blood-brain barrier level is taken. More chromatographic analyses of BBB peptides and harmonization on testing the BBB transport of peptides are future challenges to validate and unify this model. References [1] Van Dorpe S., Bronselaer A., Nielandt J., Stalmans S., Wynendaele E., Audenaert K., Van de Wiele C., Burvenich C., Peremans K., Hsuchou H., De Tré G., De Spiegeleer B. Brainpeps: the blood-brain barrier peptide database. Brain Struct Funct (2012), DOI: 10.1007/s00429-011-0375-0. [2] D’Hondt M., Van Dorpe S., Gevaert B., Wynendaele E., Stalmans S., Peremans K., Burvenich C., De Spiegeleer B. Fused-core RP-HPLC modelling of peptides. Journal of Pharmaceutical Analysis (2012), Accepted for publication.
Please use this url to cite or link to this publication:
author
organization
year
type
conference
publication status
published
subject
keyword
modelling, peptides, database, influx, blood-brain barrier, transport
in
Signal Transduction in the Blood-Brain Barriers, 15th International symposium, Abstracts
conference name
15th International symposium on Signal Transduction in the Blood-Brain Barriers
conference location
Potsdam-Sanssouci, Germany
conference start
2012-09-13
conference end
2012-09-16
language
English
UGent publication?
yes
classification
C3
additional info
uploaded document is poster version
copyright statement
I have retained and own the full copyright for this publication
id
2995765
handle
http://hdl.handle.net/1854/LU-2995765
date created
2012-09-19 14:45:03
date last changed
2012-09-20 09:45:10
@inproceedings{2995765,
  abstract     = {Since the discovery that peptides can cross the blood-brain barrier (BBB), doors have been opened to new therapeutics for CNS diseases and pain management. Recently, we have constructed the Brainpeps database (brainpeps.ugent.be) to give an overview of the available BBB transport data of peptides, which are scattered in the literature [1]. One possible application of the Brainpeps database is the study of structure-property relationships (QSPRs).
Before peptides can be used as drugs, their impurity profile needs to be examined as part of the International Conference on Harmonization (ICH) risk assessment of peptide drugs. Compared to small molecules, no in-silico predictive programs are available for toxicity screening of the different peptide impurities towards passing the BBB. To predict the BBB-behaviour of peptides as well as their impurities, we explored the Brainpeps database. During this presentation, the first results of the modelling experiments are presented.
Our starting hypothesis is that the interactions of peptides at the blood-brain barrier are comparable with those of peptides in HPLC systems. Therefore, we determined the retention characteristics on different fused-core HPLC systems of a set of model peptides selected from the Brainpeps database and explored the relationship between the chromatographic characteristics and their BBB-influx properties [2]. 
In conclusion, using the Brainpeps database and experimental HPLC data, a first step towards in-silico profiling of peptides, including their impurities, at the blood-brain barrier level is taken. More chromatographic analyses of BBB peptides and harmonization on testing the BBB transport of peptides are future challenges to validate and unify this model.
References
[1] Van Dorpe S., Bronselaer A., Nielandt J., Stalmans S., Wynendaele E., Audenaert K., Van de Wiele C., Burvenich C., Peremans K., Hsuchou H., De Tr{\'e} G., De Spiegeleer B. Brainpeps: the blood-brain barrier peptide database. Brain Struct Funct (2012), DOI: 10.1007/s00429-011-0375-0. 
[2] D{\textquoteright}Hondt M., Van Dorpe S., Gevaert B., Wynendaele E., Stalmans S., Peremans K., Burvenich C., De Spiegeleer B. Fused-core RP-HPLC modelling of peptides. Journal of Pharmaceutical Analysis (2012), Accepted for publication.},
  author       = {Stalmans, Sofie and D'Hondt, Matthias and Wynendaele, Evelien and Bracke, Nathalie and De Spiegeleer, Bart},
  booktitle    = {Signal Transduction in the Blood-Brain Barriers, 15th International symposium, Abstracts},
  keyword      = {modelling,peptides,database,influx,blood-brain barrier,transport},
  language     = {eng},
  location     = {Potsdam-Sanssouci, Germany},
  title        = {Exploring the Brainpeps database},
  year         = {2012},
}

Chicago
Stalmans, Sofie, Matthias D’Hondt, Evelien Wynendaele, Nathalie Bracke, and Bart De Spiegeleer. 2012. “Exploring the Brainpeps Database.” In Signal Transduction in the Blood-Brain Barriers, 15th International Symposium, Abstracts.
APA
Stalmans, S., D’Hondt, M., Wynendaele, E., Bracke, N., & De Spiegeleer, B. (2012). Exploring the Brainpeps database. Signal Transduction in the Blood-Brain Barriers, 15th International symposium, Abstracts. Presented at the 15th International symposium on Signal Transduction in the Blood-Brain Barriers.
Vancouver
1.
Stalmans S, D’Hondt M, Wynendaele E, Bracke N, De Spiegeleer B. Exploring the Brainpeps database. Signal Transduction in the Blood-Brain Barriers, 15th International symposium, Abstracts. 2012.
MLA
Stalmans, Sofie, Matthias D’Hondt, Evelien Wynendaele, et al. “Exploring the Brainpeps Database.” Signal Transduction in the Blood-Brain Barriers, 15th International Symposium, Abstracts. 2012. Print.