Methods and systems for determination of an effective therapeutic regimen and drug discovery
The present invention relates to the discovery of a method for identifying a treatment regimen for a patient diagnosed with cancer, predicting patient resistance to therapeutic agents and identifying new therapeutic agents. Specifically, the present invention relates to the use of an algorithm to identify a mutation in a kinase, determine if the mutation is an activation or resistance mutation and then to suggest an appropriate therapeutic regimen. The invention also relates to the use of a pattern matching algorithm and a crystal structure library to predict the functionality of a gene mutation, predict the specificity of small molecule kinase inhibitors and for the identification of new therapeutic agents.
1. A method for predicting the specificity profile of a therapeutic agent comprising:
a) obtaining the crystal structure of the therapeutic agent;
b) identifying intermediate states of targets of the therapeutic agent; and
c) predicting the specificity profile of the therapeutic agent using the intermediate state of the target and a pattern matching algorithm with a crystal structure library,
thereby predicting the specificity profile of a therapeutic agent.
2. The method of claim 1 , wherein the crystal structure library comprises a protein crystal structure database.
3. The method of claim 2 , further comprising the use of the specificity profile to select a treatment regimen for the treatment of a patient in need thereof.
4. The method of claim 1 , wherein the therapeutic agent is a kinase inhibitor.
5. The method of claim 1 , wherein the therapeutic agent is a chemotherapeutic agent.
6. The method of claim 5 , wherein the chemotherapeutic agent is selected from the group consisting of dasatinib, milotinib and mastinib.
7. The method of claim 1 , wherein the intermediate state is a DFG in configuration or a DFG out configuration.
8. The method of claim 1 , wherein the intermediate state is a result of a gene mutation.
9. The method of claim 1 , wherein the target is a kinase.