Structural Analysis of Recombinant Human Preproinsulins by Structure Prediction, Molecular Dynamics, and Protein-Protein Docking
More effective production of human insulin is important, because insulin is the main medication that is used to treat multiple types of diabetes and because many people are suffering from diabetes. The current system of insulin production is based on recombinant DNA technology, and the expression ve...
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| Language: | English |
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BioMed Central
2017-12-01
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| Series: | Genomics & Informatics |
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| Online Access: | http://genominfo.org/upload/pdf/gi-2017-15-4-142.pdf |
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| author | Sung Hun Jung Chang-Kyu Kim Gunhee Lee Jonghwan Yoon Minho Lee |
| author_facet | Sung Hun Jung Chang-Kyu Kim Gunhee Lee Jonghwan Yoon Minho Lee |
| author_sort | Sung Hun Jung |
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| description | More effective production of human insulin is important, because insulin is the main medication that is used to treat multiple types of diabetes and because many people are suffering from diabetes. The current system of insulin production is based on recombinant DNA technology, and the expression vector is composed of a preproinsulin sequence that is a fused form of an artificial leader peptide and the native proinsulin. It has been reported that the sequence of the leader peptide affects the production of insulin. To analyze how the leader peptide affects the maturation of insulin structurally, we adapted several in silico simulations using 13 artificial proinsulin sequences. Three-dimensional structures of models were predicted and compared. Although their sequences had few differences, the predicted structures were somewhat different. The structures were refined by molecular dynamics simulation, and the energy of each model was estimated. Then, protein-protein docking between the models and trypsin was carried out to compare how efficiently the protease could access the cleavage sites of the proinsulin models. The results showed some concordance with experimental results that have been reported; so, we expect our analysis will be used to predict the optimized sequence of artificial proinsulin for more effective production. |
| format | Article |
| id | doaj-art-0e7b8aef77fa4152843898a9ca4d2b2a |
| institution | Kabale University |
| issn | 2234-0742 |
| language | English |
| publishDate | 2017-12-01 |
| publisher | BioMed Central |
| record_format | Article |
| series | Genomics & Informatics |
| spelling | doaj-art-0e7b8aef77fa4152843898a9ca4d2b2a2025-02-02T11:10:43ZengBioMed CentralGenomics & Informatics2234-07422017-12-0115414214610.5808/GI.2017.15.4.142497Structural Analysis of Recombinant Human Preproinsulins by Structure Prediction, Molecular Dynamics, and Protein-Protein DockingSung Hun Jung0Chang-Kyu Kim1Gunhee Lee2Jonghwan Yoon3Minho Lee4 Department of Biological Science, Sangji University, Wonju 26339, Korea WeGreen, Inc., Wonju 26493, Korea Department of Biomedicine & Health Sciences, Graduate School, The Catholic University of Korea, Seoul 06591, Korea Department of Biomedicine & Health Sciences, Graduate School, The Catholic University of Korea, Seoul 06591, Korea Catholic Precision Medicine Research Center, College of Medicine, The Catholic University of Korea, Seoul 06591, KoreaMore effective production of human insulin is important, because insulin is the main medication that is used to treat multiple types of diabetes and because many people are suffering from diabetes. The current system of insulin production is based on recombinant DNA technology, and the expression vector is composed of a preproinsulin sequence that is a fused form of an artificial leader peptide and the native proinsulin. It has been reported that the sequence of the leader peptide affects the production of insulin. To analyze how the leader peptide affects the maturation of insulin structurally, we adapted several in silico simulations using 13 artificial proinsulin sequences. Three-dimensional structures of models were predicted and compared. Although their sequences had few differences, the predicted structures were somewhat different. The structures were refined by molecular dynamics simulation, and the energy of each model was estimated. Then, protein-protein docking between the models and trypsin was carried out to compare how efficiently the protease could access the cleavage sites of the proinsulin models. The results showed some concordance with experimental results that have been reported; so, we expect our analysis will be used to predict the optimized sequence of artificial proinsulin for more effective production.http://genominfo.org/upload/pdf/gi-2017-15-4-142.pdfleader peptidemolecular dynamicspreproinsulinprotein dockingstructure prediction |
| spellingShingle | Sung Hun Jung Chang-Kyu Kim Gunhee Lee Jonghwan Yoon Minho Lee Structural Analysis of Recombinant Human Preproinsulins by Structure Prediction, Molecular Dynamics, and Protein-Protein Docking Genomics & Informatics leader peptide molecular dynamics preproinsulin protein docking structure prediction |
| title | Structural Analysis of Recombinant Human Preproinsulins by Structure Prediction, Molecular Dynamics, and Protein-Protein Docking |
| title_full | Structural Analysis of Recombinant Human Preproinsulins by Structure Prediction, Molecular Dynamics, and Protein-Protein Docking |
| title_fullStr | Structural Analysis of Recombinant Human Preproinsulins by Structure Prediction, Molecular Dynamics, and Protein-Protein Docking |
| title_full_unstemmed | Structural Analysis of Recombinant Human Preproinsulins by Structure Prediction, Molecular Dynamics, and Protein-Protein Docking |
| title_short | Structural Analysis of Recombinant Human Preproinsulins by Structure Prediction, Molecular Dynamics, and Protein-Protein Docking |
| title_sort | structural analysis of recombinant human preproinsulins by structure prediction molecular dynamics and protein protein docking |
| topic | leader peptide molecular dynamics preproinsulin protein docking structure prediction |
| url | http://genominfo.org/upload/pdf/gi-2017-15-4-142.pdf |
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