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Background: Historically, protein kinase inhibitors work by the mechanism of blocking ATP- or allosteric-binding sites of kinases. However, protein kinases are renowned for pleiotropic effects and the lack of specificity presents problems in translation to clinical practice. The ability to design inhibitors with greater specificity should greatly increase the specificity and, hence, clinical utility of drugs that inhibit members of this important family of regulatory proteins.
Technology: UC inventors have used computer simulations to identify new compositions and methods for designing novel kinase inhibitors with increased specificity. The technology has been validated using a proof-of-concept inhibitor in various in vitro and in vivo assays and it is anticipated that the model will allow inventors to engineer specificity into related compositions.
Advantages: Abnormal signaling of protein kinases leads to cellular aberrations associated with a variety of disease states including cancer, vascular diseases and neurological disorders. It is anticipated that the application of intelligent designs will enable the development of new drugs to more specifically target these diseases.
Case No: SD2008-009
Keywords: Intelligent design, simulated, simulation, composition, kinase, cancer, vascular, neurologic, computer-assisted design, inhibitor
Inquiries To: invent@ucsd.edu
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