Biocomputational Investigations of Structural and Functional Properties of Cry Proteins for Malaria Biocontrol
<strong>Introduction: </strong>Nowadays, climate changes and wide usage of chemical insecticides cause the emergence of <em>Anopheles</em> mosquito resistant species and environmental hazards. Therefore, biocontrol as an alternative approach provides the vivid outlook for com...
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doaj-9c58f65b18564ff9beca5a95a11b596c2020-11-24T20:45:40ZengUniversity of IsfahanBiological Journal of Microorganism2322-51732322-51812019-03-01829254010.22108/bjm.2018.106941.108823096Biocomputational Investigations of Structural and Functional Properties of Cry Proteins for Malaria BiocontrolMahsa Jalili-Manesh0Aliakbar Haddad-Mashadrizeh1Ali Makhdoumi2Mohammad Reza Housaindokht3M.Sc, Department of Biology, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, IranAssistant professor, Department of Biology, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, IranAssistant professor, Department of Biology, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, IranProfessor, Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran<strong>Introduction: </strong>Nowadays, climate changes and wide usage of chemical insecticides cause the emergence of <em>Anopheles</em> mosquito resistant species and environmental hazards. Therefore, biocontrol as an alternative approach provides the vivid outlook for combating these risks. Hereupon, the special attention is paid to insecticides bacteria especially <em>Bacillus thuringiensis</em> and protein derived from it as Cry toxins. However, scrutinizing the structural and functional characteristics of these toxins have not been much attended, so it is aimed in this study by <em>in silico </em>investigations. <strong>Materials and methods: </strong>For this purpose Cry4, Cry11, Cry19, Cry24 and Cry39 protein sequences were extracted from NCBIdatabase, monitoring structural and functional, physicochemical, topological features, prediction of secondary and three-dimensional modelling were carried out with programs like Interproscan, Protparam, TMHMM, Psipred and modeller9.15. Finally, their binding affinity with relevant receptors was assessed by PatchDock molecular docking program. <strong>Results:</strong> The results indicate various features of physicochemical, non-secretory and toxin accumulation. Functional monitoring has traced domains with similar functions of other Cry toxin family members. Secondary structure prediction shows the existence of helixes and sheets in similar distribution pattern with each other. In addition, the design and quality evaluation of 3D structure of all toxins were obtained in desirable level. The binding affinity assessment represents stronger binding of Cry11 and Cry24 to most of the receptors. <strong>Discussion and conclusion:</strong> In general, the results of this study, in addition to provision functional data related to Cry toxin, provide optimum practical model of capable toxins production based on multimodal protein design for biocontrol of Malaria mosquitos.http://bjm.ui.ac.ir/article_23096_57a74ff2d0c20c00a9d56c3a089e6669.pdfMalariaBiocontrolCry Proteinsin silico |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Mahsa Jalili-Manesh Aliakbar Haddad-Mashadrizeh Ali Makhdoumi Mohammad Reza Housaindokht |
spellingShingle |
Mahsa Jalili-Manesh Aliakbar Haddad-Mashadrizeh Ali Makhdoumi Mohammad Reza Housaindokht Biocomputational Investigations of Structural and Functional Properties of Cry Proteins for Malaria Biocontrol Biological Journal of Microorganism Malaria Biocontrol Cry Proteins in silico |
author_facet |
Mahsa Jalili-Manesh Aliakbar Haddad-Mashadrizeh Ali Makhdoumi Mohammad Reza Housaindokht |
author_sort |
Mahsa Jalili-Manesh |
title |
Biocomputational Investigations of Structural and Functional Properties of Cry Proteins for Malaria Biocontrol |
title_short |
Biocomputational Investigations of Structural and Functional Properties of Cry Proteins for Malaria Biocontrol |
title_full |
Biocomputational Investigations of Structural and Functional Properties of Cry Proteins for Malaria Biocontrol |
title_fullStr |
Biocomputational Investigations of Structural and Functional Properties of Cry Proteins for Malaria Biocontrol |
title_full_unstemmed |
Biocomputational Investigations of Structural and Functional Properties of Cry Proteins for Malaria Biocontrol |
title_sort |
biocomputational investigations of structural and functional properties of cry proteins for malaria biocontrol |
publisher |
University of Isfahan |
series |
Biological Journal of Microorganism |
issn |
2322-5173 2322-5181 |
publishDate |
2019-03-01 |
description |
<strong>Introduction: </strong>Nowadays, climate changes and wide usage of chemical insecticides cause the emergence of <em>Anopheles</em> mosquito resistant species and environmental hazards. Therefore, biocontrol as an alternative approach provides the vivid outlook for combating these risks. Hereupon, the special attention is paid to insecticides bacteria especially <em>Bacillus thuringiensis</em> and protein derived from it as Cry toxins. However, scrutinizing the structural and functional characteristics of these toxins have not been much attended, so it is aimed in this study by <em>in silico </em>investigations.
<strong>Materials and methods: </strong>For this purpose Cry4, Cry11, Cry19, Cry24 and Cry39 protein sequences were extracted from NCBIdatabase, monitoring structural and functional, physicochemical, topological features, prediction of secondary and three-dimensional modelling were carried out with programs like Interproscan, Protparam, TMHMM, Psipred and modeller9.15. Finally, their binding affinity with relevant receptors was assessed by PatchDock molecular docking program.
<strong>Results:</strong> The results indicate various features of physicochemical, non-secretory and toxin accumulation. Functional monitoring has traced domains with similar functions of other Cry toxin family members. Secondary structure prediction shows the existence of helixes and sheets in similar distribution pattern with each other. In addition, the design and quality evaluation of 3D structure of all toxins were obtained in desirable level. The binding affinity assessment represents stronger binding of Cry11 and Cry24 to most of the receptors.
<strong>Discussion and conclusion:</strong> In general, the results of this study, in addition to provision functional data related to Cry toxin, provide optimum practical model of capable toxins production based on multimodal protein design for biocontrol of Malaria mosquitos. |
topic |
Malaria Biocontrol Cry Proteins in silico |
url |
http://bjm.ui.ac.ir/article_23096_57a74ff2d0c20c00a9d56c3a089e6669.pdf |
work_keys_str_mv |
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