In Silico Biosystem Model for Cellular Behavior Prediction

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Solution Overview

Problem

Current methods for therapeutic, industrial, and agricultural development fail to accurately predict the effects of perturbations on cellular behavior, making it difficult to optimize processes and develop effective compounds and products efficiently.

Innovation Solution

A method is provided to identify and refine operational reaction pathways in biosystems by comparing systemic and phenomenological reaction pathways, and reconciling data sets to validate biosystem models, allowing for the determination of genetic polymorphism effects and diagnosing pathologies.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Measurement precision

If current approaches are used for therapeutic, industrial and agricultural development, then development processes can be carried out, but the ability to predict effects of perturbations on cellular behavior is insufficient

Engineering Contradiction:
Improveprediction accuracy of cellular behavior effectsVSAvoidcomplexity of biochemical reaction networks
Core Design Contradiction:
Measurement precisionVSDevice complexity

Solution Approach 1:

The patent segments the complex biochemical reaction network into modular components: genes, gene products, and chemical reactions are separated into distinct functional units. This segmentation allows the system to analyze and predict effects of perturbations on specific components without being overwhelmed by the entire complex network, thereby improving prediction accuracy while managing complexity.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The patent introduces an in silico model as an intermediary between the complex biochemical system and the researcher. This virtual model serves as a mediator that simulates cellular behavior and predicts the effects of perturbations, allowing accurate predictions to be made without directly analyzing the full complexity of the actual biochemical network.

Inventive Principle:
Principle #24Intermediary (Mediator)

2Productivity

If integrated perspective of cellular behavior is understood, then optimization of processes can be achieved, but the interconnectivity of genes, gene products and chemical reactions makes prediction difficult

Engineering Contradiction:
Improveefficiency of product developmentVSAvoidinterconnectivity of biosystem components
Core Design Contradiction:
ProductivityVSDevice complexity

Solution Approach 1:

The patent creates a virtual copy (in silico model) of the biosystem that replicates the interconnected behavior of genes, gene products, and chemical reactions. This digital twin allows researchers to study the integrated perspective of cellular behavior and predict outcomes of perturbations without being constrained by the computational complexity of the actual biological system's interconnectivity.

Inventive Principle:
Principle #26Copying

Solution Approach 2:

The patent utilizes parameter changes in the in silico model to simulate different conditions and perturbations. By systematically varying parameters such as gene expression levels, enzyme activities, and environmental conditions, the model can predict how changes propagate through the interconnected biosystem, enabling efficient process optimization without manually analyzing every interconnection.

Inventive Principle:
Principle #35Parameter changes

3Loss of time

If accurate prediction of cellular behavior is achieved, then time for drug development can be shortened, but current models lack the necessary accuracy

Engineering Contradiction:
Improvetime for drug developmentVSAvoidaccuracy of cellular behavior prediction
Core Design Contradiction:
Loss of timeVSMeasurement precision

Solution Approach 1:

The patent incorporates feedback mechanisms in the in silico model by continuously comparing model predictions with experimental data. This feedback loop allows the model to be refined and updated, improving its accuracy in predicting cellular behavior. As the model becomes more accurate, the time required for drug development is reduced because fewer iterations of testing and refinement are needed.

Inventive Principle:
Principle #23Feedback

Solution Approach 2:

The patent enables preliminary action by using the in silico model to predict the effects of potential drug compounds and perturbations before actual experimental testing. This virtual screening and prediction process identifies promising candidates and eliminates unlikely options in advance, significantly reducing the time required for subsequent experimental development and validation.

Inventive Principle:
Principle #10Preliminary action

Data Source

PatentUS7734420B2Methods and systems to identify operational reaction pathways
Publication Date: 2010.06.08 RGT UNIV OF CALIFORNIA
  • US7734420B2 patent drawing
  • US7734420B2 patent drawing
  • US7734420B2 patent drawing

AI summary

The present invention provides a method for identifying an operational reaction pathway of a biosystem. The method includes (a) providing a set of systemic reaction pathways through a reaction network representing said biosystem; (b) providing a set of phenomenological reaction pathways of said biosystem, and (c) comparing said set of systemic reaction pathways with said set of phenomenological reaction pathways, wherein a pathway common to said sets is an perational reaction pathway of said biosystem. Also described is a method of refining a biosystem reaction network; a method of reconciling biosystem data sets; a method of determining the effect of a genetic polymorphism on whole cell function; and a method of diagnosing a genetic polymorphism-mediated pathology.