Prediction of the aggregation propensity of proteins
[News vom: 24.03.2011]
The aggregation of proteins is a major challenge the pharma industry has to deal with in the development of protein drugs. The routes of aggregation are very diverse and poorly understood, a prediction of the aggregation propensity of therapeutic proteins in the pipeline of pharma companies is therefore not possible yet. The availability of such a tool can save the industry millions of Euros by (a) predict aggregation propensities of drug candidates and (b) help in the formulation development.
We are using a combination of molecular simulation, experimental characterization of aggregates and the aggregation mechanism and formulation development to get a better understanding of the factors triggering aggregation. Based on the results we are developing a simulation tool for the prediction of aggregation propensities of proteins to assist in the initial choice of drug candidates. Since proteins are very complex systems simplifications and assumptions have to be made, otherwise it is not possible to realize such a simulation tool. Therefore the experimental validation of the predicted results is extremely important. For the initial phase we are focusing on one big family of proteins to show the usefulness of our approach. In the next phase the tool will be applied to other families as well to prove its validity. The final stage will be the simulation-assisted formulation development of protein drugs, predicting drug – excipient interactions.
Up to now we made huge progress in the development of the simulation routine featuring an unique approach. Experimental validation of the predictions are in progress.
Up to now we made huge progress in the development of the simulation routine featuring an unique approach. Experimental validation of the predictions are in progress.
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