Pub Date : 2015-10-01DOI: 10.1109/BMEI.2015.7401494
Dayu Li, Yajing Fang, Wei Huang, Xianrui Huang
Mass spectrometer is an important tool to analyze biological macromolecules. With the development of technology, there are increasing demands for mass spectrometer. Fourier-transform Mass Spectrometer (FT-MS) has higher resolution and accuracy compared to other kinds of Mass spectrometer. High speed data acquisition system which is used to detect the output signal is one of the important components of FT-MS. Based on the high speed and high accuracy Analog-to-Digital Converter and FPGA, a design of a high speed and high accuracy acquisition system with USB interface is presented. The hardware and software design are introduced in detail. In this system, conversion rate can reach 12Msps and sampling accuracy is above 14 bits to meet the data acquisition needs of FT-MS. The result shows that a reliable high-speed data acquisition and transmission is achieved based on the system.
{"title":"Design and implementation of data acquisition system based on FPGA and USB interface in fourier-transform mass spectrometer","authors":"Dayu Li, Yajing Fang, Wei Huang, Xianrui Huang","doi":"10.1109/BMEI.2015.7401494","DOIUrl":"https://doi.org/10.1109/BMEI.2015.7401494","url":null,"abstract":"Mass spectrometer is an important tool to analyze biological macromolecules. With the development of technology, there are increasing demands for mass spectrometer. Fourier-transform Mass Spectrometer (FT-MS) has higher resolution and accuracy compared to other kinds of Mass spectrometer. High speed data acquisition system which is used to detect the output signal is one of the important components of FT-MS. Based on the high speed and high accuracy Analog-to-Digital Converter and FPGA, a design of a high speed and high accuracy acquisition system with USB interface is presented. The hardware and software design are introduced in detail. In this system, conversion rate can reach 12Msps and sampling accuracy is above 14 bits to meet the data acquisition needs of FT-MS. The result shows that a reliable high-speed data acquisition and transmission is achieved based on the system.","PeriodicalId":119361,"journal":{"name":"2015 8th International Conference on Biomedical Engineering and Informatics (BMEI)","volume":"96 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133537002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sparse angular Computer Tomography (CT) is a rapidly developing imaging modality that reconstructs high-quality images from sparse data toward low-dose x-rays. The effectiveness of conventional total variation (TV) algorithm is limited by the over-smoothness on the edges and slow convergence. To mitigate this drawback, we proposed an improved fast iterative reconstruction method based on the minimization of selective image TV. The presented selective TV model is derived by linking the regularity metric to the local gradient of images, and selectively applies different degrees of regularization (the value of p) to background and potential signal locations for the purpose of preserving the edge details. In order to further speed up the convergence, we draws on a fast variant of The Iterative-Shrinkage-Thresholding Algorithm (ISTA), which uses a special linear combination of the two previous iterate results as the initial value of next iteration for more accurate correction. Experiments on simulated Shepp-Logan phantom are performed. The results demonstrated that the new method not only protected the edge of the image characteristics, but also significantly improved the convergence speed of the iterative reconstruction.
{"title":"A fast iterative reconstruction method based on the selective total variation for sparse angular CT","authors":"Huijun Li, Shuxu Zhang, Kehong Yuan, Linjing Wang, Yingying Peng","doi":"10.1109/BMEI.2015.7401471","DOIUrl":"https://doi.org/10.1109/BMEI.2015.7401471","url":null,"abstract":"Sparse angular Computer Tomography (CT) is a rapidly developing imaging modality that reconstructs high-quality images from sparse data toward low-dose x-rays. The effectiveness of conventional total variation (TV) algorithm is limited by the over-smoothness on the edges and slow convergence. To mitigate this drawback, we proposed an improved fast iterative reconstruction method based on the minimization of selective image TV. The presented selective TV model is derived by linking the regularity metric to the local gradient of images, and selectively applies different degrees of regularization (the value of p) to background and potential signal locations for the purpose of preserving the edge details. In order to further speed up the convergence, we draws on a fast variant of The Iterative-Shrinkage-Thresholding Algorithm (ISTA), which uses a special linear combination of the two previous iterate results as the initial value of next iteration for more accurate correction. Experiments on simulated Shepp-Logan phantom are performed. The results demonstrated that the new method not only protected the edge of the image characteristics, but also significantly improved the convergence speed of the iterative reconstruction.","PeriodicalId":119361,"journal":{"name":"2015 8th International Conference on Biomedical Engineering and Informatics (BMEI)","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129805441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-10-01DOI: 10.1109/BMEI.2015.7401599
Dequan Guo, Hao Yin, Richen Liu
The computer aided imaging technique is used to study the beamforming of acoustic radiation force excitation, including the different frequency (includes interlaced, entered, symmetrically separated), impulse, and amplitude modulated patterns. The research aims to model and design an ultrasound system with suitable acoustic radiation force excitation, with higher accuracy information for the acoustic response from the designed local harmonic motion, which is produced by ultrasonic radiation force. These role and importance of each excitation phenomenon pattern is addressed here. The profiles from the radiation stress amplitude on the local focus plane and that are obtained from the beam axis. The experiments show the ultrasound fields from the xz-plane and point spread function (PSF) profiles in axial and lateral direction, and it can be used to help to design in transducer for acoustic radiation force excitation.
{"title":"Comparison imaging effect of acoustic radiation force excitation in ultrasound","authors":"Dequan Guo, Hao Yin, Richen Liu","doi":"10.1109/BMEI.2015.7401599","DOIUrl":"https://doi.org/10.1109/BMEI.2015.7401599","url":null,"abstract":"The computer aided imaging technique is used to study the beamforming of acoustic radiation force excitation, including the different frequency (includes interlaced, entered, symmetrically separated), impulse, and amplitude modulated patterns. The research aims to model and design an ultrasound system with suitable acoustic radiation force excitation, with higher accuracy information for the acoustic response from the designed local harmonic motion, which is produced by ultrasonic radiation force. These role and importance of each excitation phenomenon pattern is addressed here. The profiles from the radiation stress amplitude on the local focus plane and that are obtained from the beam axis. The experiments show the ultrasound fields from the xz-plane and point spread function (PSF) profiles in axial and lateral direction, and it can be used to help to design in transducer for acoustic radiation force excitation.","PeriodicalId":119361,"journal":{"name":"2015 8th International Conference on Biomedical Engineering and Informatics (BMEI)","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132615671","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-10-01DOI: 10.1109/BMEI.2015.7401516
Xiaomeng Wei, Li Chen, Chaowei Gao
In computer-aided orthodontics systems, an essential task is to present tooth models. Model data may come from different sources. A laser scanner can generate a relatively fine mesh of the dental crown, while a CBCT (cone beam computerized tomography) scanner can generate a mesh complete but coarser. To combine both advantages, it is natural to consider fusing the fine crown with the coarser but complete root. Since data sources are different, the sizes and vertex densities of the two kinds of meshes don't match well. This paper presents an automatic method to address these problems and fuse the fine crowns with the coarse roots. First, the root part of the CBCT generated mesh is extracted according to the laser scanned crown mesh. Then, the two parts are connected via a Bezier surface. The mesh of the transitional part is constructed by triangulating sampling points over the Bezier surface, and subsequently faired using the mean curvature flow method. The proposed method can generate meshes with a fine crown and a complete root, which will facilitate the subsequent orthodontics planning process.
{"title":"Automatic mesh fusion for dental crowns and roots in a computer-aided orthodontics system","authors":"Xiaomeng Wei, Li Chen, Chaowei Gao","doi":"10.1109/BMEI.2015.7401516","DOIUrl":"https://doi.org/10.1109/BMEI.2015.7401516","url":null,"abstract":"In computer-aided orthodontics systems, an essential task is to present tooth models. Model data may come from different sources. A laser scanner can generate a relatively fine mesh of the dental crown, while a CBCT (cone beam computerized tomography) scanner can generate a mesh complete but coarser. To combine both advantages, it is natural to consider fusing the fine crown with the coarser but complete root. Since data sources are different, the sizes and vertex densities of the two kinds of meshes don't match well. This paper presents an automatic method to address these problems and fuse the fine crowns with the coarse roots. First, the root part of the CBCT generated mesh is extracted according to the laser scanned crown mesh. Then, the two parts are connected via a Bezier surface. The mesh of the transitional part is constructed by triangulating sampling points over the Bezier surface, and subsequently faired using the mean curvature flow method. The proposed method can generate meshes with a fine crown and a complete root, which will facilitate the subsequent orthodontics planning process.","PeriodicalId":119361,"journal":{"name":"2015 8th International Conference on Biomedical Engineering and Informatics (BMEI)","volume":"45 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132791795","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-10-01DOI: 10.1109/BMEI.2015.7401499
Zhicheng Li, Yang Deng, Hong Huang, S. Misra
Compressed Sensing (CS) is a novel approach of compressing, which can reconstruct a sparse signal much below Nyquist rate of sampling. Though ECG signals can be well approximated by some wavelet basis, the noise still influences the ECG wavelet decomposition and also reduces the effectiveness of the signal reconstruction. In this note, we present a compressed sensing method to reconstruct ECG signals in MITBIH [1] arrhythmia based on different wavelet families. Our approach is composed of two steps. The first step is to use Condensing Sort and Select Algorithm (CSSA) to dampen the impact of the noise for ECG signals and get sparse signals to estimate and replace raw ECG signals, and then, the second step is to use CS method to compress and transfer those filtered signals. The result is evaluated by some indices like Percentage Root Mean Square Difference (PRD), Mean Square Error (MSE), Peak Signal To Noise Ratio (PSNR), and Correlation Coefficient (CoC). These reconstructed results are comprehensively compared by 4:1 compression ratio. These results indicate that Symlets and Daubechies wavelet families have better performance for all parameters compared to other wavelet families and most of existing results.
{"title":"ECG signal compressed sensing using the wavelet tree model","authors":"Zhicheng Li, Yang Deng, Hong Huang, S. Misra","doi":"10.1109/BMEI.2015.7401499","DOIUrl":"https://doi.org/10.1109/BMEI.2015.7401499","url":null,"abstract":"Compressed Sensing (CS) is a novel approach of compressing, which can reconstruct a sparse signal much below Nyquist rate of sampling. Though ECG signals can be well approximated by some wavelet basis, the noise still influences the ECG wavelet decomposition and also reduces the effectiveness of the signal reconstruction. In this note, we present a compressed sensing method to reconstruct ECG signals in MITBIH [1] arrhythmia based on different wavelet families. Our approach is composed of two steps. The first step is to use Condensing Sort and Select Algorithm (CSSA) to dampen the impact of the noise for ECG signals and get sparse signals to estimate and replace raw ECG signals, and then, the second step is to use CS method to compress and transfer those filtered signals. The result is evaluated by some indices like Percentage Root Mean Square Difference (PRD), Mean Square Error (MSE), Peak Signal To Noise Ratio (PSNR), and Correlation Coefficient (CoC). These reconstructed results are comprehensively compared by 4:1 compression ratio. These results indicate that Symlets and Daubechies wavelet families have better performance for all parameters compared to other wavelet families and most of existing results.","PeriodicalId":119361,"journal":{"name":"2015 8th International Conference on Biomedical Engineering and Informatics (BMEI)","volume":"62 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114223872","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-10-01DOI: 10.1109/BMEI.2015.7401555
Bo Chen, Xiu-e Gao, A. Zhang
Body composition analysis can not only reflect the state of health, but also can play a role in disease prevention. Aiming at many influencing factors, complex modeling issues of the existing bioelectrical impedance analysis algorithms, this paper draws information entropy theory into modeling the human body composition for the first time, establishes entropy evaluation criteria of physiological characteristic parameters, puts forward feature selection algorithm based on physiological information entropy, selects a reasonable subset of features that can most effectively interpret body physiological information and have a minimal number of features to give the body composition prediction fitted model. Experimental results show that the algorithm can select the useful characteristic parameters and the fitted model improves the accuracy of body composition prediction.
{"title":"Prediction model of human body composition based on physiological information entropy","authors":"Bo Chen, Xiu-e Gao, A. Zhang","doi":"10.1109/BMEI.2015.7401555","DOIUrl":"https://doi.org/10.1109/BMEI.2015.7401555","url":null,"abstract":"Body composition analysis can not only reflect the state of health, but also can play a role in disease prevention. Aiming at many influencing factors, complex modeling issues of the existing bioelectrical impedance analysis algorithms, this paper draws information entropy theory into modeling the human body composition for the first time, establishes entropy evaluation criteria of physiological characteristic parameters, puts forward feature selection algorithm based on physiological information entropy, selects a reasonable subset of features that can most effectively interpret body physiological information and have a minimal number of features to give the body composition prediction fitted model. Experimental results show that the algorithm can select the useful characteristic parameters and the fitted model improves the accuracy of body composition prediction.","PeriodicalId":119361,"journal":{"name":"2015 8th International Conference on Biomedical Engineering and Informatics (BMEI)","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114888094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-10-01DOI: 10.1109/BMEI.2015.7401518
F. Nani, Mingxian Jin
The pathophysiology of Type 2 Diabetes Mellitus (T2DM) is modelled using a coupled system of non-linear deterministic differential equations. An attempt is made to construct to a clinically plausible mathematical model that incorporates the homeostasis associated with endocrinological regulation of glucose and glycogen levels in the human body, by the hormones, insulin and glucagon. The model variables include the concentrations of glucose in the venous blood plasma, the concentration of glycogen in the liver/tissues, the concentration of the hormone glucagon, and the concentration of insulin in the venous blood plasma. The physiological interactions between the model parameters are depicted by clinically measurable rate constants and biophysically quantifiable stoichiometric coefficients. The processes of gluconeogenesis, glycogenolysis, and pulsatile insulin secretion during type 2 diabetes are modelled using plausible auxiliary functions. Investigative computer simulations are performed to elucidate various hypothetical scenarios of glycemia, patho-physiology of T2DM and insulinoma associated hypoglycemia which results from excessive insulin production probably due to a tumor. This study has demonstrated the necessity of simultaneous monitoring of plasma glucose, glucagon, insulin, and glycogen levels in the proper assessment of the pathophysiology of type 2 diabetes and during determination of the therapeutic efficacy of anti-diabetic drugs.
{"title":"Mathematical modeling and simulations of the pathophysiology of Type-2 Diabetes Mellitus","authors":"F. Nani, Mingxian Jin","doi":"10.1109/BMEI.2015.7401518","DOIUrl":"https://doi.org/10.1109/BMEI.2015.7401518","url":null,"abstract":"The pathophysiology of Type 2 Diabetes Mellitus (T2DM) is modelled using a coupled system of non-linear deterministic differential equations. An attempt is made to construct to a clinically plausible mathematical model that incorporates the homeostasis associated with endocrinological regulation of glucose and glycogen levels in the human body, by the hormones, insulin and glucagon. The model variables include the concentrations of glucose in the venous blood plasma, the concentration of glycogen in the liver/tissues, the concentration of the hormone glucagon, and the concentration of insulin in the venous blood plasma. The physiological interactions between the model parameters are depicted by clinically measurable rate constants and biophysically quantifiable stoichiometric coefficients. The processes of gluconeogenesis, glycogenolysis, and pulsatile insulin secretion during type 2 diabetes are modelled using plausible auxiliary functions. Investigative computer simulations are performed to elucidate various hypothetical scenarios of glycemia, patho-physiology of T2DM and insulinoma associated hypoglycemia which results from excessive insulin production probably due to a tumor. This study has demonstrated the necessity of simultaneous monitoring of plasma glucose, glucagon, insulin, and glycogen levels in the proper assessment of the pathophysiology of type 2 diabetes and during determination of the therapeutic efficacy of anti-diabetic drugs.","PeriodicalId":119361,"journal":{"name":"2015 8th International Conference on Biomedical Engineering and Informatics (BMEI)","volume":"14 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116517328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-10-01DOI: 10.1109/BMEI.2015.7401588
L. Wei, Jieqing Ai, Shenghan Liu
A multi-party-signature protocol enables an ensemble of entities to sign on a message to produce a compressed signature. Recently, a lot of multi-party-signature protocols have been proposed in the security field. However, these schemes suffer either from impractical assumptions or from loose security reductions. This paper address all these issues by presenting a practical multi-party-signature protocol. Specifically, the designed multiparty-signature protocol is secure tightly connected to the Computational Diffie-Hellman (CDH) problem in the plain model. Moreover, the multi-party-signature size is small and the communication cost is very low.
{"title":"A tightly secure multi-party-signature protocol in the plain model","authors":"L. Wei, Jieqing Ai, Shenghan Liu","doi":"10.1109/BMEI.2015.7401588","DOIUrl":"https://doi.org/10.1109/BMEI.2015.7401588","url":null,"abstract":"A multi-party-signature protocol enables an ensemble of entities to sign on a message to produce a compressed signature. Recently, a lot of multi-party-signature protocols have been proposed in the security field. However, these schemes suffer either from impractical assumptions or from loose security reductions. This paper address all these issues by presenting a practical multi-party-signature protocol. Specifically, the designed multiparty-signature protocol is secure tightly connected to the Computational Diffie-Hellman (CDH) problem in the plain model. Moreover, the multi-party-signature size is small and the communication cost is very low.","PeriodicalId":119361,"journal":{"name":"2015 8th International Conference on Biomedical Engineering and Informatics (BMEI)","volume":"68 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114645232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Aiming at the problem of the formation of thrombosis and coronary restenosis, the formation mechanism of thrombosis was studied in this paper. The simulation model of platelet particles was established based on the theory of discrete element. And the simulation model describing the flow of blood was built based on the principle of hemodynamic. Then by means of the DEM-CFD coupling technology, a simulation model was established to describe the circumstance that platelet flows in blood. To reveal the formation mechanism of thrombosis and solve the problem of coronary restenosis, the process of blood flowing, platelet adhering to each other and to coronary stent was simulated. The result of simulation showed that blood flow velocity has a significant influence on the formation of thrombus. The result will provide basement on the cure of thrombus and the improvement of stent in the future.
{"title":"Simulation of the formation mechanism of coronary thrombosis based on DEM-CFD coupling","authors":"X. Hou, Yuetian Shi, Jianting Yao, Xin Sun, Kailiang Zhang","doi":"10.1109/BMEI.2015.7401467","DOIUrl":"https://doi.org/10.1109/BMEI.2015.7401467","url":null,"abstract":"Aiming at the problem of the formation of thrombosis and coronary restenosis, the formation mechanism of thrombosis was studied in this paper. The simulation model of platelet particles was established based on the theory of discrete element. And the simulation model describing the flow of blood was built based on the principle of hemodynamic. Then by means of the DEM-CFD coupling technology, a simulation model was established to describe the circumstance that platelet flows in blood. To reveal the formation mechanism of thrombosis and solve the problem of coronary restenosis, the process of blood flowing, platelet adhering to each other and to coronary stent was simulated. The result of simulation showed that blood flow velocity has a significant influence on the formation of thrombus. The result will provide basement on the cure of thrombus and the improvement of stent in the future.","PeriodicalId":119361,"journal":{"name":"2015 8th International Conference on Biomedical Engineering and Informatics (BMEI)","volume":"38 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132130857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2015-10-01DOI: 10.1109/BMEI.2015.7401557
Ganggang Luo, Fang Lu, Ludi Jiang, Yilian Cai, Yanling Zhang
Cytochrome P450 2A6 (CYP2A6), which is a member of the cytochrome P450 (CYP450) mixed-function oxidase system and is highly expressed in liver, is involved in the metabolism of drugs in the body. The inhibition of it often reduces the metabolic rate of the corresponding metabolites and then may cause unwanted drug-drug interaction (DDI). In this study, discriminative models of CYP2A6 inhibitors were created by using the support vector machine (SVM) method. And the optimal model was selected based on three assessment criteria, including accuracy, sensitivity and specificity, which were all above 95%. Then, the optimal model was used to distinguish potential inhibitors of CYP2A6 from traditional Chinese medicine database (TCMD), which resulting in a hit list of 619 compounds. These compounds were further refined by using molecular docking and then 23 compounds with higher scores than the original ligand in the crystal structure of CYP2A6 enzyme were retained. Among them, Peucedanin, which has better prediction results, might exhibits inhibition effect on CYP2A6. This paper suggests the applicability of computational methods for obtaining potential inhibitors of CYP2A6 from Natural Products, and also provides guidance for the rational application of drugs in clinical.
{"title":"Virtual screening of cytochrome P450 2A6 inhibitors from traditional Chinese medicine using support vector machine and molecular docking","authors":"Ganggang Luo, Fang Lu, Ludi Jiang, Yilian Cai, Yanling Zhang","doi":"10.1109/BMEI.2015.7401557","DOIUrl":"https://doi.org/10.1109/BMEI.2015.7401557","url":null,"abstract":"Cytochrome P450 2A6 (CYP2A6), which is a member of the cytochrome P450 (CYP450) mixed-function oxidase system and is highly expressed in liver, is involved in the metabolism of drugs in the body. The inhibition of it often reduces the metabolic rate of the corresponding metabolites and then may cause unwanted drug-drug interaction (DDI). In this study, discriminative models of CYP2A6 inhibitors were created by using the support vector machine (SVM) method. And the optimal model was selected based on three assessment criteria, including accuracy, sensitivity and specificity, which were all above 95%. Then, the optimal model was used to distinguish potential inhibitors of CYP2A6 from traditional Chinese medicine database (TCMD), which resulting in a hit list of 619 compounds. These compounds were further refined by using molecular docking and then 23 compounds with higher scores than the original ligand in the crystal structure of CYP2A6 enzyme were retained. Among them, Peucedanin, which has better prediction results, might exhibits inhibition effect on CYP2A6. This paper suggests the applicability of computational methods for obtaining potential inhibitors of CYP2A6 from Natural Products, and also provides guidance for the rational application of drugs in clinical.","PeriodicalId":119361,"journal":{"name":"2015 8th International Conference on Biomedical Engineering and Informatics (BMEI)","volume":"36 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2015-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133734470","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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