JPH0954768A - Medical substance test simulation system - Google Patents

Abstract

PROBLEM TO BE SOLVED: To estimate the effects of medical substances through a medical substance test without conducting animal experiments. SOLUTION: The chemical compound information on the medical substances tested in the past are stored in a chemical compound data base 1. At the same time, the test result information on the medical substances tested in the past are stored in a test result data base 2. The chemical compounds of the medical substances to be simulated are inputted, and the test information are retrieved out of both databases 1 and 2. Then the retrieval results are outputted as the estimated value.

Description

Detailed Description of the Invention

[0001]

BACKGROUND OF THE INVENTION 1. Field of the Invention The present invention relates to a drug test simulation system for conducting a safety test of drugs such as drugs and agricultural chemicals.

[0002]

2. Description of the Related Art Generally, in the research and development of pharmaceuticals and agrochemicals, after thoroughly conducting basic research on proteins, the effect of drugs is investigated in vitro (in vitro) or in vivo (in vivo). To do. The drug administered to the human body must be safe first and foremost, but in order to ensure the safety, not only the safety of the drug component itself, but also the dosage is an important factor. However, individual differences must also be considered, and therefore the safety of the dosage regimen considering individual differences needs to be confirmed by many clinical data.
Recently, due to the development of animal welfare and remarkable genetic engineering, more and more countries are conducting safety tests by in vitro tests. However, mammals (rodents) that do not have guidelines for in vitro safety tests
The importance of the safety test of the in-vivo test does not change because it is specified that the test of the in vivo test is used together.

[0003]

However, the above-mentioned conventional in vivo safety test is carried out by using rodent animals as early as one month and as long as two years, and the animals to be tested are , I need dozens to hundreds.
In addition, the animals to be used in the safety test must have clear pedigrees. In addition, when investigating the safety of a drug, the animal may suddenly die during the test or the test may be discontinued due to factors other than the drug, such as animal escape. Furthermore, although the dose of the drug has to be planned in advance, the test results may differ due to slight differences in the dose. If a test conducted using the life of an important animal is canceled or becomes useless, there is a problem that the important life, resources, and time become ineffective.

On the other hand, in the in vivo safety test, one test unit consists of a drug, a dose, an administration route, an administration period, a medium, an animal type,
It is defined and implemented at the planning stage such as inspection type. Eventually, clinical pathological examination will be performed, but during the examination, the examination specified in the guideline will be performed. Therefore, the result is calculated by a computer using a method such as statistics (Ref.
(-147935 gazette) There is also a problem that a long period until analysis and an experimenter having specialized knowledge are required, which causes an increase in cost.

Therefore, an object of the present invention is to provide a drug test simulation system capable of predicting the effects of drugs without conducting animal experiments. Also,
Another object is to reduce the duration and cost of drug safety testing.

[0006]

In order to solve the above-mentioned problems, the present invention provides a drug test simulation system comprising a compound database means, a test record database means and a test predicting means. The compound database means stores the compound information of the drug that has been tested in the past, and the test record database means stores the test record information of the drug that has been tested in the past. The test prediction means searches the compound database means and the test record database means for the drug to be simulated based on the compound of the drug to predict the test result of the drug to be simulated. As a result, test results can be obtained without conducting animal experiments.

[0007]

1 is a diagram showing an embodiment of a drug test simulation system according to the present invention. In FIG. 1, 1 is a compound database that stores compound information of drugs that have been tested in the past, and 2 is a test result database that stores past test implementation information. Reference numeral 3 is a database control unit for controlling the databases 1 and 2, 4 is an input / output device, and 5 is a control unit for controlling the database control unit 3 and the input / output control unit 4, and is generally a computer.

FIG. 2 is a diagram showing the contents of the compound database 1 and the test record database 2. So-called translation data is stored in the compound database 1. For example, as shown in the compound table A, a compound code, compound name, chemical formula, property, etc. are input, and as shown in the drug name table B, drug name, compound group, purity, ratio, etc. are input. . The test record database 2 also stores so-called background data and past data. For example, as the background data, as shown in the test information table C, a test No, a test type, an animal type, an animal strain, a drug name, etc. are input. Further, as the past data, as shown in the test result table D, the test No., sex, group No., animal No., organ code, finding code, site code, grade, normal, abnormal results, etc. are entered. Further, as shown in the test result table E, the test No, group No, group name, dose, administration time, medium, administration progress, sex, number of animals, animal No, normal, abnormal results, etc. are entered. .

Each table A, B, C, D, shown in FIG.
E, that is, the input to the databases 1 and 2 is performed using the input / output device 4 for the compound information of the drug that has been performed in the past.

Next, the procedure for simulating a drug, which is the operation of the controller 5 in FIG. 1, will be described with reference to FIG. First, in step 301, a compound of a drug to be simulated is input. In this case, the compound ratio and the like are also entered. In addition, the compound is identified by rotating the combination of chemical formulas of the compound three-dimensionally. At this point, the side effects of the compound are checked.

Next, in step 302, step 301
It is determined whether or not the compound input in (2) is registered in the compound database 1 such as the tables A and B in FIG. As a result, when it is determined that the compound not registered in the compound database 1 constitutes the drug to be simulated, the process proceeds to step 303 and an error is output. On the other hand, when all the compounds input in step 301 are registered in the compound database 1, the process proceeds to step 304.

In step 304, the type of animal, the type of animal, etc. are input and the type of test to be searched is determined using, for example, the table C of FIG. In step 305, the test result is searched using the past data and is output together with the normal data and the abnormal data. For example, the dose, the administration period, the medium, etc. are input and the test results are searched by the table E of FIG. Then, the procedure of FIG. 3 ends at step 306.

Both the compound database 1 and the test record database 2 are related by the compound.

[0014]

As described above, according to the present invention, the effect of a drug can be predicted without conducting an in vivo experiment, that is, an animal experiment. Further, the period and cost of the drug safety test can be reduced. Furthermore, the amount of drug to be administered can be predicted appropriately before the experiment.

[Brief description of drawings]

FIG. 1 is a diagram showing an embodiment of a drug test simulation system according to the present invention.

FIG. 2 is a diagram showing an example of the database of FIG.

3 is a flowchart showing the simulation procedure of FIG.

[Explanation of symbols]

 1 ... Compound database 2 ... Test result database 3 ... Database control unit 4 ... Input / output device 5 ... Control unit

Claims (2)

[Claims] 1. A compound database means (1) for storing compound information of a drug that has been tested in the past, and a test result database means (2) for storing test result information of a drug that has been tested in the past. Test prediction means (3, 4, 5) for predicting the test result of the drug to be simulated by searching the compound database means and the test result database means for the drug to be simulated based on the compound of the drug And a drug test simulation system comprising: 2. The test predicting means, the input means for inputting as a compound a combination of compound formulas obtained by three-dimensionally rotating the compound formula of the drug to be simulated, and the input compound Discrimination means for discriminating whether or not stored in the compound database means, and only when the input compound is stored in the compound database means, the test result database means is searched to search for the simulation target. The drug test simulation system according to claim 1, further comprising a test result output unit that outputs a test result of the drug.