CN110007067A - A kind of protein molecule docking detection device - Google Patents
A kind of protein molecule docking detection device Download PDFInfo
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Abstract
The present invention provides a kind of protein molecules to dock detection device, comprising: data reception module, data reception module are communicatively coupled with Hadoop computing platform, to receive the docking score value of the protein molecule of Hadoop computing platform acquisition；Voice module；Digital display module；Microcontroller, microcontroller are connected with data reception module, voice module and digital display module respectively, and microcontroller is for controlling voice module casting docking score value, and control digital display module display docking score value.Whole device structure of the present invention is simply easily assembled, and cost is relatively low, and experimenter can be made to intuitively understand the quality of protein molecule docking result, greatly improve experiment and learning efficiency.
Description
Technical field
The present invention relates to intelligent measurement fields, and in particular to a kind of protein molecule docking detection device.
Background technique
At present in biological medicine, the various joint modes between protein molecule are an important rings in drug screening field
Section, it is also most directly effective a kind of mode in new drug production process.There are various physiology living between biomolecule
It is dynamic, such as increment, differentiation and the extinction of cell, duplication, transcription and translation of gene etc..Therefore how quickly and effectively by albumen
Matter molecule is docked, it has also become highly important part.
Nowadays, in the research institute of each Scientific Research in University Laboratory or scientific research institution, protein point is carried out by the relevant technologies
Son docking is more universal, however since the process whole process of molecular docking operates in computer, human eye can not Direct Recognition phase
The process answered, and the result of molecular docking is that the forms such as number show mostly, it is as a result excessively abstract, correlation is directly resulted in this way
Personnel or student cannot intuitively carry out subsequent analysis.Currently, being to utilize high-performance computer based on mostly on the market
Point counting analysis, in computer, this is not only not easy to impart knowledge to students on teacher classroom whole process whole process, be also not easy to university student or
Laboratory technician carries out subsequent experiment and analysis.Simultaneously as molecular docking works on computers, student or experimenter need
Moment pays attention to computer screen, if it is can then waste a large amount of valuable times in the process at school, directly results in low efficiency of attending class
Under.
Summary of the invention
The present invention is that solution is not intuitive enough for the docking result displaying of protein molecule docking at present, and passes through computer
The technical issues of analysis docking result inefficiency, provides a kind of protein molecule docking detection device.
The technical solution adopted by the invention is as follows:
A kind of protein molecule docking detection device, comprising: data reception module, the data reception module and Hadoop
Computing platform is communicatively coupled, to receive the docking score value for the protein molecule that the Hadoop computing platform obtains；Voice
Module；Digital display module；Microcontroller, the microcontroller respectively with the data reception module, the voice module and
The digital display module is connected, and the microcontroller broadcasts the docking score value, and control for controlling the voice module
The digital display module shows the docking score value.
The protein molecule docks detection device further include: control switch, the control switch and the microcontroller
Device is connected, and for switching, the voice module broadcasts the docking score value to the control switch and the digital display module is shown
The docking score value.
The protein molecule docks detection device further include: reseting module, the reseting module and the microcontroller
Device is connected, and the reseting module is used to carry out reset setting to protein molecule docking detection device.
The protein molecule docks detection device further include: light emitting diode, the light emitting diode with it is described micro-
Controller is connected, and the light emitting diode is used to carry out the operation instruction of the protein molecule docking detection device.
The protein molecule docks detection device further include: power module, the power module and the microcontroller
Device is connected to be powered.
The Hadoop computing platform includes that a computer is used as name node, and several computers are used as data section
Point, multiple stage computers are attached by local area network or interchanger, and every computer has the IP address of a distribution,
In, the name node is responsible for managing the file for the data block that each back end saves, and is responsible for control external client
Access；Each back end is responsible for storing each data block for data being split as fixed size.
Hadoop is mainly made of HDFS and MapReduce two parts, and wherein HDFS is responsible for storage, and MapReduce is responsible for
It calculates；Processing docking is carried out to biomolecule using MapReduce frame, then filters out and gives a mark between all ligand small molecules
It is worth higher several data and is deposited into HDFS, and imports data to out and be attached with docking facilities；Molecular docking is adopted
With molecular docking software autodock.
The data reception module is carried out wireless communication by bluetooth with Hadoop computing platform and is connect.
Address code has been allocated in advance in the voice module.
The microcontroller includes the single-chip microcontroller of model C8051F020.
Beneficial effects of the present invention:
The present invention receives the docking score value for the protein molecule that Hadoop computing platform obtains by data reception module, and
Docking score value is broadcasted by voice module, and is shown by digital display module and docks score value, simply easy group of whole device structure
Dress, cost is relatively low, can make experimenter intuitively understand protein molecule docking result quality, greatly improve experiment and
Learning efficiency.
Detailed description of the invention
Fig. 1 is that the protein molecule of the embodiment of the present invention docks the block diagram of detection device；
Fig. 2 is that the protein molecule of one embodiment of the invention docks the block diagram of detection device；
Fig. 3 is that the protein molecule of one embodiment of the invention docks the flow chart of detection method.
Specific embodiment
Following will be combined with the drawings in the embodiments of the present invention, and technical solution in the embodiment of the present invention carries out clear, complete
Site preparation description, it is clear that described embodiments are only a part of the embodiments of the present invention, instead of all the embodiments.It is based on
Embodiment in the present invention, it is obtained by those of ordinary skill in the art without making creative efforts every other
Embodiment shall fall within the protection scope of the present invention.
As shown in Figure 1, the protein molecule of the embodiment of the present invention docks detection device, including data reception module 10, language
Sound module 20, digital display module 30 and microcontroller 40.Wherein, data reception module 10 and Hadoop computing platform is led to
Letter connection, to receive the docking score value of the protein molecule of Hadoop computing platform acquisition；Microcontroller 40 connects with data respectively
Receipts module 10, voice module 20 are connected with digital display module 30, and microcontroller is with 40 in the control casting docking of voice module 20
Score value, and the control display docking score value of digital display module 30.
Further, as shown in Fig. 2, the protein molecule docking detection device of the embodiment of the present invention may also include control and open
50 are closed, control switch 50 is connected with microcontroller 40, and control switch 50 is for switching the casting docking score value sum number of voice module 20
The code display docking score value of display module 30.
Further, as shown in Fig. 2, the protein molecule docking detection device of the embodiment of the present invention may also include reset mould
Block 60, reseting module 60 are connected with microcontroller 40, and reseting module 60 is used to answer protein molecule docking detection device
Position setting.
Further, as shown in Fig. 2, the protein molecule docking detection device of the embodiment of the present invention may also include luminous two
Pole pipe 70, light emitting diode 70 are connected with microcontroller 40, and light emitting diode 70 is for carrying out protein molecule docking detection dress
The operation instruction set.
Further, as shown in Fig. 2, the protein molecule docking detection device of the embodiment of the present invention may also include power supply mould
Block 80, power module 80 are connected with microcontroller 40 to be powered.Protein molecule docking detection device may also include micro-control
40 periphery of device processed is that microcontroller 40 provides the crystal oscillator module 90 of clock.
In one embodiment of the invention, Hadoop computing platform is responsible for protein molecule docking, and docking result
Marking and sequence.Hadoop computing platform include high performance computer be used as name node ((NameNode), it is several
The general computer of platform is used as back end (DataNode), and multiple stage computers are attached by local area network or interchanger, often
Platform computer has the IP address of a distribution, wherein name node is responsible for managing the data block of each back end preservation
File, and it is responsible for the access of control external client；Each back end, which is responsible for storing, is split as fixed size data
Each data block.Hadoop is mainly made of HDFS and MapReduce two parts, and wherein HDFS is responsible for storage, and MapReduce is negative
Duty calculates；Processing docking is carried out to biomolecule using MapReduce frame, then filters out and is beaten between all ligand small molecules
The higher several data of score value are simultaneously deposited into HDFS, and are imported data to out and be attached with docking facilities；Molecular docking
Using molecular docking software autodock.
In one embodiment of the invention, data reception module 10 and Hadoop computing platform are carried out wireless by bluetooth
Communication connection.The purpose for the arrangement is that saving space, while the convenient and simple convenience that operates.Detailed operation is as follows: looking into first
It sees bluetooth handbook, obtains bluetooth slave and match password, the conditions such as baud rate；By bluetooth serial ports test software, instruction is sent, more
The master slave mode for changing another bluetooth, is changed to host mode；By instruction change bluetooth host pairing password, make its with
Slave password is identical；Bluetooth host baud rate is changed, it is identical as the baud rate of bluetooth slave.Power supply is opened, can observation automatic
Successful match.When molecular docking result finishes, after the docking score value that result is obtained by scoring functions, entire Hadoop is by the number
Value is transferred to bluetooth equipment host, i.e. data reception fast 10 by bluetooth equipment (slave).Data reception is fastly by 10 data
It is transmitted to microcontroller 40, to carry out subsequent work.
In one embodiment of the invention, address code has been allocated in advance in voice module 20.Microcontroller 40 can will connect
It receives data to be dismantled according to the sequence of bits per inch word, and is transferred to voice module 20 and digital display module 30, voice mould
Block 20 compares therewith according to the number pre-deposited, obtains the deposit address of the number, voice module 20 successively will be digital
It quotes, while digital display module 30 shows corresponding numerical value, to obtain docking score value.
In one particular embodiment of the present invention, microcontroller 40 includes the single-chip microcontroller of model C8051F020,
C8051F020 single-chip microcontroller has the ADC of 8 500ksps, band PGA and 8 channel analogy variable connectors, and two 12 DAC have
Programmable data update mode has 5 capture/comparison module programmable counter/Timer Arrays.Digital display module 30
Using eight segment numeral pipe of common cathode.Speech recognition module uses NV020S, including loudspeaker and operational amplifier, NV020S are one
Money has the voice module of high-speed dsp kernel, and major functions and features have: the voice of high tone quality plays, is multi-functional multi-field
Application range, flexible voice capacity extended mode, NV020S provide a variety of key triggering modes, meet the embodiment of the present invention
Use demand.
In one particular embodiment of the present invention, as shown in figure 3, based on above-mentioned protein molecule docking detection device
Protein molecule docking detection method can comprise the following steps that
S1 carries out protein molecule docking using Hadoop computing platform.
S2 evaluates docking result by scoring functions to obtain docking score value.
For step S1 and S2, specifically, the molecular data docked can will be needed to be uploaded to HDFS first；Experimenter is logical
The attribute information of the molecule briefly docked is crossed to judge molecule feature, and extracts corresponding characterization of molecules information, these information
Has the characteristics that essential characteristic that is succinct, identifiable and can reflecting molecule；Experimenter matches according to These characteristics creation
Body molecule attribute list carries out inquiry ligand molecular attribute according to the attribute information of compound for being supplied to user；Creation docking
As a result table, configuration result storage catalogue；MapReduce task is submitted, entire Hadoop frame can call automatically molecular docking soft
Part autodock carry out molecular docking, each ligand molecular is completed in Hadoop platform dock after can generate one it is corresponding
Destination file；Destination file is parsed, obtains the marking of binding pattern between biomolecule by scoring functions.For monolithic
The considerations of machine stores, can choose 8 kinds of wherein best conformations, this 8 kinds of conformation according to docking score value (energy value) from high to low
Sequence successively sorts, and is stored in the result list of HDFS.
Molecular docking is the main method of drug design, and core is lock-key principle, that is to say, that ligand molecular and receptor point
Docking matching between son not only will include geometric match on space conformation, but also include the matching on energy.autodock
It is the molecular docking software of a prevalence, because to be screened to the large database concept containing ten hundreds of a molecules, counts
It is particularly significant to calculate efficiency, and Hadoop has the characteristics that high parallelization, and the molecular docking of high speed can be carried out to molecule big data.
Scoring functions are the important components of molecular docking algorithm, it is screened to protein complex conformation
Important evidence, it directly determines the precision of docking algorithm.One ideal scoring functions being capable of EQUILIBRIUM CALCULATION FOR PROCESS efficiency and reliable
Property.The embodiment of the present invention uses the scoring functions based on the field of force, and principle is carried out certainly using molecular mechanics and molecular dynamics
By predicting and giving a mark, it includes electrostatic interaction and model ylid bloom action, and hydrogen bond action as electrostatic interaction processing, main formulas
It is as follows:
Wherein, rijIndicate the distance between acceptor atom i and ligand atom j, AijAnd BijIt is illustrated respectively in model ylid bloom action
The parameter of lower repulsion and attraction, q represent the point charge of atom, ε (rij) it is constant dielectric constants, generally take 4rij。
After all preparations are finished, so that it may open computer software, carry out docking the good of result between protein molecule
The test of bad degree.
Docking score value is passed through Bluetooth transmission to single-chip microcontroller by S3.Hadoop can be by program of giving a mark, the feelings that will be docked every time
Condition carry out marking and by score value according to sequential storage from high to low and be transferred to protein molecule docking detection device.
The data received are ranked up fractionation by S4, single-chip microcontroller, and light emitting diode is always on, and show that mating operation terminates.
Data after fractionation are successively compared with the data in voice module S5.It is each right to can be obtained by comparison
Connect the corresponding address of score value.
S6 will compare obtained docking score value and pass sequentially through the loudspeaker casting of voice module, while passing through digital-scroll technique
Module display docking score value.
Specifically, appropriate address, corresponding deposit number 0 to 9 and decimal point can be distributed in voice module in advance, in advance
The correspondence program of numeral method is write, and calculates intermolecular binding pattern correlation scoring functions subprogram, in docking
Call the program.
S7, experimenter switch each of voice module is broadcasted and digital display module is shown by control switch in order
Data.
S8 presses reset switch, and light emitting diode is closed, and whole work process terminates.
Protein molecule according to an embodiment of the present invention docks detection device, receives Hadoop meter by data reception module
The docking score value for the protein molecule that platform obtains is calculated, and docking score value is broadcasted by voice module, and pass through digital-scroll technique mould
Block display docking score value, whole device structure are simply easily assembled, and cost is relatively low, experimenter can be made to intuitively understand albumen
The quality of matter molecular docking result, greatly improves experiment and learning efficiency.
In the description of the present invention, the meaning of " plurality " is two or more, unless otherwise specifically defined.
In the present invention unless specifically defined or limited otherwise, term " installation ", " connected ", " connection ", " fixation " etc.
Term shall be understood in a broad sense, for example, it may be being fixedly connected, may be a detachable connection, or integral；It can be mechanical connect
It connects, is also possible to be electrically connected；It can be directly connected, can also can be in two elements indirectly connected through an intermediary
The interaction relationship of the connection in portion or two elements.It for the ordinary skill in the art, can be according to specific feelings
Condition understands the concrete meaning of above-mentioned term in the present invention.
In the present invention unless specifically defined or limited otherwise, fisrt feature in the second feature " on " or " down " can be with
It is that the first and second features directly contact or the first and second features pass through intermediary mediate contact.Moreover, fisrt feature exists
Second feature " on ", " top " and " above " but fisrt feature be directly above or diagonally above the second feature, or be merely representative of
First feature horizontal height is higher than second feature.Fisrt feature can be under the second feature " below ", " below " and " below "
One feature is directly under or diagonally below the second feature, or is merely representative of first feature horizontal height less than second feature.
In the description of this specification, reference term " one embodiment ", " some embodiments ", " example ", " specifically show
The description of example " or " some examples " etc. means specific features, structure, material or spy described in conjunction with this embodiment or example
Point is included at least one embodiment or example of the invention.In the present specification, schematic expression of the above terms are not
It must be directed to identical embodiment or example.Moreover, particular features, structures, materials, or characteristics described can be in office
It can be combined in any suitable manner in one or more embodiment or examples.In addition, without conflicting with each other, the skill of this field
Art personnel can tie the feature of different embodiments or examples described in this specification and different embodiments or examples
It closes and combines.
It although an embodiment of the present invention has been shown and described, for the ordinary skill in the art, can be with
A variety of variations, modification, replacement can be carried out to these embodiments without departing from the principles and spirit of the present invention by understanding
And modification, the scope of the present invention is defined by the appended.
Claims (10)
1. a kind of protein molecule docks detection device characterized by comprising
Data reception module, the data reception module are communicatively coupled with Hadoop computing platform, described in receiving
The docking score value for the protein molecule that Hadoop computing platform obtains；
Voice module；
Digital display module；
Microcontroller, the microcontroller respectively with the data reception module, the voice module and the digital-scroll technique mould
Block is connected, and the microcontroller broadcasts the docking score value, and the control digital-scroll technique mould for controlling the voice module
Block shows the docking score value.
2. protein molecule according to claim 1 docks detection device, which is characterized in that further include:
Control switch, the control switch are connected with the microcontroller, and the control switch is for switching the voice module
It broadcasts the docking score value and the digital display module shows the docking score value.
3. protein molecule according to claim 2 docks detection device, which is characterized in that further include:
Reseting module, the reseting module are connected with the microcontroller, and the reseting module is used for the protein molecule
Docking detection device carries out reset setting.
4. protein molecule according to claim 3 docks detection device, which is characterized in that further include:
Light emitting diode, the light emitting diode are connected with the microcontroller, and the light emitting diode is for carrying out the egg
The operation of white matter molecular docking detection device indicates.
5. protein molecule according to claim 4 docks detection device, which is characterized in that further include:
Power module, the power module are connected with the microcontroller to be powered.
6. protein molecule according to any one of claims 1-5 docks detection device, which is characterized in that described
Hadoop computing platform includes that a computer is used as name node, and several computers are used as back end, multiple stage computers
It is attached by local area network or interchanger, every computer has the IP address of a distribution, wherein the name node
It is responsible for the file for the data block that each back end of management saves, and is responsible for the access of control external client；Each data
Node is responsible for storing each data block for data being split as fixed size.
7. protein molecule according to claim 6 docks detection device, which is characterized in that Hadoop mainly by HDFS and
MapReduce two parts composition, wherein HDFS is responsible for storage, and MapReduce is responsible for calculating；Using MapReduce frame to life
Object molecule carries out processing docking, then filters out the higher several data of marking value between all ligand small molecules and is deposited into
In HDFS, and imports data to out and be attached with docking facilities；Molecular docking uses molecular docking software autodock.
8. protein molecule according to claim 7 docks detection device, which is characterized in that the data reception module with
Hadoop computing platform carries out wireless communication connection by bluetooth.
9. protein molecule according to claim 8 docks detection device, which is characterized in that in the voice module in advance
It is assigned address code.
10. protein molecule according to claim 1 docks detection device, which is characterized in that the microcontroller includes
The single-chip microcontroller of model C8051F020.
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Citations (7)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN101360758A (en) * | 2005-11-22 | 2009-02-04 | 遗传工程与生物技术中心 | Methods and proteins for the prophylactic and/or therapeutic treatment of the four serotypes of dengue virus and other flaviviruses |
| CN103049677A (en) * | 2011-10-17 | 2013-04-17 | 同济大学 | Computing method for processing interaction between small molecules and proteins |
| CN104487979A (en) * | 2012-05-25 | 2015-04-01 | 拜尔健康护理有限责任公司 | System and method for predicting the immunogenicity of a peptide |
| CN107992718A (en) * | 2017-11-28 | 2018-05-04 | 江苏理工学院 | molecular docking method and system |
| CN108073109A (en) * | 2017-11-20 | 2018-05-25 | 江苏理工学院 | A kind of biomolecule binding pattern detection device and detection method calculated based on FFT |
| CN108351914A (en) * | 2015-10-30 | 2018-07-31 | 扬森疫苗与预防公司 | The structure-based design of D- protein ligands |
| CN108763851A (en) * | 2018-04-26 | 2018-11-06 | 江苏理工学院 | A kind of method that polymolecular realizes docking simultaneously |
-
2019
- 2019-03-11 CN CN201910180530.1A patent/CN110007067A/en active Pending
Patent Citations (7)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN101360758A (en) * | 2005-11-22 | 2009-02-04 | 遗传工程与生物技术中心 | Methods and proteins for the prophylactic and/or therapeutic treatment of the four serotypes of dengue virus and other flaviviruses |
| CN103049677A (en) * | 2011-10-17 | 2013-04-17 | 同济大学 | Computing method for processing interaction between small molecules and proteins |
| CN104487979A (en) * | 2012-05-25 | 2015-04-01 | 拜尔健康护理有限责任公司 | System and method for predicting the immunogenicity of a peptide |
| CN108351914A (en) * | 2015-10-30 | 2018-07-31 | 扬森疫苗与预防公司 | The structure-based design of D- protein ligands |
| CN108073109A (en) * | 2017-11-20 | 2018-05-25 | 江苏理工学院 | A kind of biomolecule binding pattern detection device and detection method calculated based on FFT |
| CN107992718A (en) * | 2017-11-28 | 2018-05-04 | 江苏理工学院 | molecular docking method and system |
| CN108763851A (en) * | 2018-04-26 | 2018-11-06 | 江苏理工学院 | A kind of method that polymolecular realizes docking simultaneously |
Non-Patent Citations (3)
| Title |
|---|
| 周苏等: "《大数据时代管理信息系统》", 31 January 2017, 中国铁道出版社 * |
| 张丽: "基于云平台的分子对接设计与实现", 《中国优秀硕士学位论文全文数据库 信息科技辑》 * |
| 陈凯先等: "《计算机辅助药物设计 原理、方法及应用》", 31 October 2000, 上海科学技术出版社 * |
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Application publication date: 20190712 |