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CN-116490124-B - A system and method for developing alternative drug therapies to produce similar pathway behavior using existing drug therapy characteristics

CN116490124BCN 116490124 BCN116490124 BCN 116490124BCN-116490124-B

Abstract

A method for developing a new drug therapy using the characteristics of existing drug therapies includes the steps of developing a new therapeutic math model of a target biological network and synthesizing a drug therapy based on the new therapeutic math model. The new treatment mathematical model is capable of generating a new treatment temporal progression comprising temporal progression features found in existing treatment temporal progression of existing treatment mathematical models of the target biological network. The time course progression feature may be related to the outcome of the target biological network. Each new therapeutic intervention constant allows the synthesis of a drug regimen that together constitute a new drug therapy.

Inventors

  • I. Afterburner

Assignees

  • I·加力

Dates

Publication Date
20260505
Application Date
20210719
Priority Date
20200719

Claims (16)

  1. 1. A method of developing a new drug therapy utilizing the characteristics of existing drug therapies, said method comprising the steps of: Developing a new treatment math model of a target biological network, the target biological network comprising a plurality of nodes, the new treatment math model capable of generating a new treatment schedule progression comprising new treatment schedule progression features found in an existing treatment schedule progression of an existing treatment math model of the target biological network that match existing treatment schedule progression features, wherein: the new treatment schedule progression and the existing treatment schedule progression each include a chemical concentration level of a chemical substance within the target biological network as a function of time, and The existing treatment schedule progression feature is related to the existing treatment outcome of the target biological network; the new therapeutic mathematical model comprises: A set of new therapeutic intervention nodes of the plurality of nodes, each respective new therapeutic intervention node comprising a new therapeutic intervention function modeling chemical interactions at the respective new therapeutic intervention node, and A set of treatment-free node velocity functions modeling all other nodes of said new treatment mathematical model among said plurality of nodes; Each of said new therapeutic intervention functions comprising one or more new therapeutic intervention constants from a set of new therapeutic intervention constants, wherein each respective new therapeutic intervention constant represents an effect of a new drug regimen in a new drug therapy on a rate of chemical interconversion of said respective new therapeutic intervention node; the existing treatment mathematical model comprises: A set of existing therapeutic intervention nodes of the plurality of nodes, each respective existing therapeutic intervention node comprising an existing therapeutic intervention equation modeling chemical interconversions at the respective existing therapeutic intervention node, and A no-treatment velocity equation modeling all other nodes of the existing treatment mathematical model among the plurality of nodes; each of said existing therapeutic intervention equations comprising an existing therapeutic intervention constant from a set of existing therapeutic intervention constants, wherein said existing therapeutic intervention constant represents the effect of an existing drug regimen in an existing drug therapy on the rate of chemical interconversion of an existing therapeutic intervention node; The set of new therapeutic intervention nodes is different from the set of existing therapeutic intervention nodes, further the set of new therapeutic intervention nodes includes at least one node that is not in the set of existing therapeutic intervention nodes; For each respective new therapeutic intervention node of the set of new therapeutic intervention nodes, identifying a corresponding real-world therapeutic agent compound by matching a characteristic of the corresponding real-world therapeutic agent compound to the new therapeutic intervention constant of the respective new therapeutic intervention node, and Synthesizing a drug regimen for each of said new therapeutic intervention nodes comprising said corresponding real world therapeutic agent compound, said drug regimens together comprising a new drug therapy.
  2. 2. The method of claim 1, wherein, The new treatment schedule progression including chemical concentration levels of each of a set of chemicals in the target biological network, and The existing treatment schedule progression includes chemical concentration levels of each of the chemicals in the set of chemicals.
  3. 3. The method of claim 2, wherein, The new treatment schedule progression further includes the concentration of each protein in the set of proteins in the target biological network, and The prior treatment schedule progression further includes the concentration of each of the proteins in the set of proteins.
  4. 4. The method of claim 2, wherein the existing treatment schedule progression feature comprises a first chemical concentration of a first chemical in the chemicals meeting or exceeding a threshold.
  5. 5. The method of claim 2, wherein the existing treatment schedule progression feature comprises a sequence of events.
  6. 6. The method of claim 5, wherein the sequence of events is defined, at least in part, as the second chemical having a second chemical concentration that meets or exceeds a second threshold after the first chemical has a first chemical concentration that meets or exceeds the first threshold.
  7. 7. The method of claim 5, wherein the sequence of events is defined at least in part as the first chemical concentration reaching or exceeding a second threshold after the first chemical has a first chemical concentration reaching or exceeding the first threshold.
  8. 8. The method of claim 2, wherein the existing treatment time course progression feature comprises a first chemical of the set of chemicals having a first chemical concentration that meets or exceeds a first threshold while a second chemical concentration of a second chemical of the chemicals is meeting or exceeding a second threshold.
  9. 9. The method of claim 2, wherein said existing treatment schedule progression feature comprises chemical concentrations of said chemicals of said set of chemicals coming into a range such that said chemical concentrations together are equal to or greater than a target concentration of each of said chemicals of said set without deviation.
  10. 10. The method of claim 9, wherein the deviation between the chemical concentration and the target concentration is obtained by a root mean square operation.
  11. 11. The method of claim 1, wherein for at least one new therapeutic intervention node of the set of new therapeutic intervention nodes, the new therapeutic intervention function is a suppression function and the intervention constant associated with the suppression function is a suppression constant.
  12. 12. The method of claim 1, wherein for at least one new therapeutic intervention node of the set of new therapeutic intervention nodes, the new therapeutic intervention function is an acceleration function and the intervention constant associated with the acceleration function is an acceleration constant.
  13. 13. The method of claim 1, wherein the no-treatment node velocity function or the no-treatment velocity equation is a mie equation.
  14. 14. The method of claim 1, wherein the set of existing therapeutic intervention nodes comprises only one node.
  15. 15. The method of claim 1, wherein there are no nodes in common between the set of existing therapeutic intervention nodes and the set of new therapeutic intervention nodes.
  16. 16. The method of claim 1, wherein each node in common between the set of existing therapeutic intervention nodes and the set of new therapeutic intervention nodes comprises a different existing therapeutic intervention constant than a corresponding new therapeutic intervention constant.

Description

A system and method for developing alternative drug therapies to produce similar pathway behavior using existing drug therapy characteristics Background The present invention relates to a system and method for developing alternative drug therapies to produce similar pathway behavior using existing drug therapy characteristics. Today, pharmacotherapy is used to treat pathogens and diseases. Drug therapy works by attacking along specific pathways of the pathogen. In general, pathways are causal links of interactions, resulting in alterations in the normal function of the pathogen, which are triggered by pharmacotherapy that chemically interacts with targetable biological elements of the pathogen. While there are many drug therapies, more research is underway to find new drug therapies to combat pathogens that have not yet been treated or to replace currently inadequate drug therapies. Drug therapy may be inadequate for a number of reasons. First, some drug therapies do not cure the disease, but only reduce the prevalence or symptoms. Examples of such drug therapies include therapies for combating HIV and herpes viruses. In both cases, although drug therapy can reduce viral load in humans, none of the drug therapies can completely eliminate the virus. Second, some drug therapies have side effects ranging from mild to severe, which in some cases can be fatal. The bio-element targeted by the drug therapy causes a change in the pathway behavior of the targeted element, and thus, the bio-element targeted by the drug therapy interacts with other bio-elements due to the linkage reaction. However, these altered pathway behaviors can have a significant negative impact on the biological network. Furthermore, therapeutic molecules may interact with non-target elements in the network that are known or unknown, which may also create negative overall pathway behavior in the target network as described above. Third, over time, pharmacotherapies tend to be susceptible to resistance by evolving pathogens. In particular, if a therapeutic agent targets pathogens such as bacteria, viruses, parasites and even cancer cells, the therapeutic agent may lose efficacy due to the evolution of the target population. Resistance occurs when a subset of a group of target organisms or cells survive exposure due to the specific properties of the subset, and then pass this resistance property on to the next generation. Fourth, some drug therapies can be costly to manufacture. Drug synthesis is a multi-step process, one step having a considerable impact on the cost of manufacturing the drug. For example, in 2011, it costs $260 to make only 50 grams of 4-phenyl-1. One common strategy for rational computer-aided new drug development is to first determine new interactions between biological elements, or entirely new biological elements that may be critical to cell function. The very promising biological elements are then structurally characterized at the molecular level, as well as their interactions with potential therapeutic agents. The aim is to target a specific biological element which is likely to significantly alter the function of the target cell in the desired manner. However, these methods present significant problems. Finding new biological elements or interactions within known elements is extremely time consuming and resource intensive or is fraught with false positives of interaction results. It was found in the initial laboratory tests that interactions or biological elements critical to cell function also fail to answer a core question that if the destruction of the target biological element would have the expected effect on the whole organism through a chain reaction mechanism? It would therefore be advantageous to have a system and method for using the characteristics of existing drug therapies to design novel drug therapies targeting pathogen pathways to produce similar pathway behaviors. Disclosure of Invention A method of finding a set of parameters for a new drug therapy such that the new drug therapy produces similar results as an existing drug therapy. In a first step, the method may include replacing any intervention function associated with an existing medication therapy with a treatment-free node function associated with the mathematical model within the mathematical model if the mathematical model has any intervention function associated with an existing medication therapy. In a next step, the method may include selecting a range for each of the plurality of parameters. The method may then include generating a time course progression of the new treatment mathematical model for each of a plurality of permutations, the time course progression being generated each time the permutation is used. The method may then include determining for each permutation whether its temporal progression includes a temporal progression feature present in an existing treatment temporal progression associated with the existing drug therapy, the