whole body.pptx
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Computer simulation involves creating computer models to simulate real-world systems. There are four levels of simulation in pharmacokinetics and pharmacodynamics: 1) Whole organism simulation using PK/PD or PBPK models, 2) Isolated tissue and organ simulation, 3) Cellular simulation, and 4) Protein and gene simulation. PBPK models in particular are used to predict absorption, distribution, metabolism, and excretion of drugs in the human body based on physiological and drug properties.
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whole body.pptx
- 2. IN TRO D U C TIO N A computer simulation or acomputer model is acomputer program that attempts to simulateanabstract model of aparticular system. Computer simulation in the fieldof Pharmacokinetic and Pharmacodynamics or in silica model is need of the hour in the biomedical field. •Computational resources available today , large-scale models of the body can be used to produce realistic simulations. •It involves the use of computer simulations of biological systems, including cellular subsystems (such as the networks of metabolites and enzymes which comprise metabolism, signal transduction, pathways and gene regulatory networks), to both analyze and visualize the complex connections of these cellular processes.
- 3. The process to create an imitation of real world system or physical object into acomputer model. Performing experiments to understand the behavior of system and evaluating new strategies. Then observing events, processes, propertiesand behavior of system, with computer model. What is Computer Simulation
- 4. Process of Simulating a System Simulation means mimic anycondition and computer simulation is done by computer model using algorithms There is mainly 4 level of the simulation of pharmacokinetics and pharmacodynamics. Level 1 Computer Simulation of the Whole Organism. Level 2 Computer Simulation of Isolated Tissues and Organs. Level 3 Computer Simulations of the Cell. Level 4 Computer simulation of Proteins and Genes.
- 5. Level 1 computer simulation of whole organism For the formation of the model simulation of the whole organism is very important. The whole organism can be mathematically represented which mimic the whole physiological condition through the simulation of the whole organism. The whole series of the organ can be generated for the clinical trial purpose. There are two appraoches for simulation of whole organism A. PK/PD model B. PBPK model
- 6. A. PK/PD model •It is used to describe the exposure-response relationship. •Model is coupled with a model of a diseased state. •It can be described by Linear model (linear relationship between drug concentration and response), E max model (non-linear model that assumes a maximum effect (E max) at a certain drug concentration (EC50-Concentration producing 50% of the maximum effect of a drug),Sigmoidal E max model (is a more complex version of the E max model, this model is commonly used to describe the time course of drug effects in humans) Purpose • To estimate therapeutic window • Dose selection • Identify mechanism of action
- 7. 1.In-vitro physiological and in-vivo pharmacokinetics data are collected to help design PK/PD study protocol. 2.Acute PK/PD pilot model is then conducted to examine the exposure-response relationship. 3.Set up and screening with the PK/PD model in drug discovery is a typical and important process that requires ongoing refinement as new information become available and the project moves forward. 4.PK/PD model is continuously updated throughout different drug development to relevant new data. Steps involved in PK/PD model
- 8. The mathematicallymodeling technique for predictingADME of asynthetic or natural chemicalsubstance inhuman. Usually multicompartmental model withpredicted organ or tissue withcorrection corresponding to blood or lymph flow . Model madeup of compartment corresponding to the different physiologicalorgan of thebody linkedbythecirculating blood system. Eachcompartment exactly describes byatissue volume and blood flowrate thatis specificto thespeciesof theintestine. Eachtissue is definedwith theassumption of either perfusion rate limitedor permeabilityrate limited. PBPK models are constructed using a series of differential equations that are parameterized with known physiological variables and represent a mathematical descriptionoftheprocessesthatgoverntheADMEofadrug.Thepatient’scharacteristics (age, sex, weight, body composition, organ function, genetics, etc.) can also be utilized and integrated into a PBPK model. The drug properties used in PBPK models include molecular weight, logP , pKa, protein binding data, blood/plasma ratio, metabolism, permeability/solubility,transportmechanism,etc B. PBPK model (physiology based pharmacokinetic model)
- 9. PBPK model is made up of mainly two parts 1.Anatomical backbone- It contains a species-specific physiological parameter that are independent of the drug and hence can be applied to any compound. 2.The drug-specific part which can consist of individual drug’s ADME property applied to the relevant process within each tissue compartment.
- 10. PBPK model
- 11. Level 2 Computer simulation of isolated tissue and orga Computer simulation of isolated tissues and organs involves the use of computer models to simulate the behavior of tissues and organs in response to drugs. This approach allows researchers to study the pharmacokinetics and pharmacodynamics of drugs in a controlled environment, without the need for animal or human subjects.
- 12. Level 2 Computer simulation of isolated tissue and orga Heart, kidney ,brain, liver can be asubject of mathematical modeling research. Liver simulation is very useful in both field biomedical and pharmaceutical. This model offers increased level of detail and temporal resolution which gives good mixing and uniformity of hypothesis. Simulation of heart and liver can be carried out with distributed blood tissue model that is known as BTEX model.
- 13. Level 3 Computer simulation of cell •Simulation of the cell is very complicated because of the need to know about how intracellular and membrane proces takes place. •There is no universal record for how the intracellular and cell wall working take place. •The virtual cell in an online respiratory of some of these model makes an available computer simulation of the whole cell to its user network. •Another online respiratory of the biophysical model is at the CellML website. •It is mainly used in biomedical research.
- 14. Level 4 Computer simulation of protein andgenes In, Computational protein design the most interacting factor is that it can lead to design and laboratory creation of the structure that are not present in nature. The approach tried to identify agene that leads to disease susceptibility and allow mapping of genetic dataonto network based on an ordinary differential equation. Simulation to pharmacotherapy was in the field of HIV/AIDS treatment, through the development of HIV viral based on the clinical data that shed considerable light on the disease mechanism. One can produce anewer sequence of the gene also help in translation and transcription process as well as protein identification.