Computer-based methods of designing molecules
AssigneeDana-Farber Cancer Institute, Inc.
InventorsEllis L. Reinherz, Mikyung Kim, Pedro Reche, Jiahuai Wang
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Abstract
The invention features a method of generating an immunogenic compound with the ability to induce an immune response to a molecule produced by a pathogenic agent, e.g., a infectious agent or a tumor cell. Also included in the invention are an immunogenic compound generated by the method of the invention and a method of inducing an immune response in a mammal that involves administering the immunogenic compound to the mammal.
Claims29
A computer-assisted method of determining whether a compound is immunogenic, the method requiring use of a programmed computer comprising a processor and an input device, the method comprising:
- (a) providing a pathogenesis factor (PF), or a fragment of a PF, comprising a region with low polymorphism, wherein the region is in an active conformation;
- (b) obtaining data on the region in the active conformation, wherein the data can be used to determine the three-dimensional structure of the region in the active conformation;
- (c) inputting to the input device the data;
- (d) determining, using the processor, the three-dimensional structure of the region in the active conformation;
- (e) designing a compound comprising a domain that includes at least one epitope that is likely to induce the production in a mammal of an antibody that binds to the region in the active conformation;
- (f) producing the compound;
- and
- (g) determining whether the compound elicits an antibody response in a mammalian host, wherein an antibody of the response binds to the region in the active conformation.
A method of determining whether a compound is immunogenic, the method comprising:
- designing a compound comprising a domain that includes at least one epitope that is likely to elicit an antibody response in a mammal, wherein an antibody of the response binds to a region in an active conformation, and wherein the designing uses a three-dimensional structure of a pathogenesis factor (PF), or fragment of the pathogenesis factor, comprising the region with low polymorphism and being in an active conformation;
- producing the compound;
- and
- determining whether the compound elicits an antibody response in a mammalian host, wherein an antibody of the response binds to the region in the active conformation.
An isolated compound compnsing SEQ ID NO:
- 15, wherein said compound composes a domain that includes at least one epitope that induces the production in a mammal of an antibody that binds to a region of a pathogenesis factor (PF), or a fragment of a PF, with low polymorphism, the region being in an active conformation.
Dependencies are inferred from the claim text.