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NeuroPIpred: a tool to predict, design and scan insect neuropeptides

Insect neuropeptides and their associated receptors have been one of the potential targets for the pest control. The present study describes in silico models developed using natural and modified insect neuropeptides for predicting and designing new neuropeptides. Amino acid composition analysis reve...

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Autores principales: Agrawal, Piyush, Kumar, Sumit, Singh, Archana, Raghava, Gajendra P. S., Singh, Indrakant K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6435694/
https://www.ncbi.nlm.nih.gov/pubmed/30914676
http://dx.doi.org/10.1038/s41598-019-41538-x
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author Agrawal, Piyush
Kumar, Sumit
Singh, Archana
Raghava, Gajendra P. S.
Singh, Indrakant K.
author_facet Agrawal, Piyush
Kumar, Sumit
Singh, Archana
Raghava, Gajendra P. S.
Singh, Indrakant K.
author_sort Agrawal, Piyush
collection PubMed
description Insect neuropeptides and their associated receptors have been one of the potential targets for the pest control. The present study describes in silico models developed using natural and modified insect neuropeptides for predicting and designing new neuropeptides. Amino acid composition analysis revealed the preference of residues C, D, E, F, G, N, S, and Y in insect neuropeptides The positional residue preference analysis show that in natural neuropeptides residues like A, N, F, D, P, S, and I are preferred at N terminus and residues like L, R, P, F, N, and G are preferred at C terminus. Prediction models were developed using input features like amino acid and dipeptide composition, binary profiles and implementing different machine learning techniques. Dipeptide composition based SVM model performed best among all the models. In case of NeuroPIpred_DS1, model achieved an accuracy of 86.50% accuracy and 0.73 MCC on training dataset and 83.71% accuracy and 0.67 MCC on validation dataset whereas in case of NeuroPIpred_DS2, model achieved 97.47% accuracy and 0.95 MCC on training dataset and 97.93% accuracy and 0.96 MCC on validation dataset. In order to assist researchers, we created standalone and user friendly web server NeuroPIpred, available at (https://webs.iiitd.edu.in/raghava/neuropipred.)
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spelling pubmed-64356942019-04-02 NeuroPIpred: a tool to predict, design and scan insect neuropeptides Agrawal, Piyush Kumar, Sumit Singh, Archana Raghava, Gajendra P. S. Singh, Indrakant K. Sci Rep Article Insect neuropeptides and their associated receptors have been one of the potential targets for the pest control. The present study describes in silico models developed using natural and modified insect neuropeptides for predicting and designing new neuropeptides. Amino acid composition analysis revealed the preference of residues C, D, E, F, G, N, S, and Y in insect neuropeptides The positional residue preference analysis show that in natural neuropeptides residues like A, N, F, D, P, S, and I are preferred at N terminus and residues like L, R, P, F, N, and G are preferred at C terminus. Prediction models were developed using input features like amino acid and dipeptide composition, binary profiles and implementing different machine learning techniques. Dipeptide composition based SVM model performed best among all the models. In case of NeuroPIpred_DS1, model achieved an accuracy of 86.50% accuracy and 0.73 MCC on training dataset and 83.71% accuracy and 0.67 MCC on validation dataset whereas in case of NeuroPIpred_DS2, model achieved 97.47% accuracy and 0.95 MCC on training dataset and 97.93% accuracy and 0.96 MCC on validation dataset. In order to assist researchers, we created standalone and user friendly web server NeuroPIpred, available at (https://webs.iiitd.edu.in/raghava/neuropipred.) Nature Publishing Group UK 2019-03-26 /pmc/articles/PMC6435694/ /pubmed/30914676 http://dx.doi.org/10.1038/s41598-019-41538-x Text en © The Author(s) 2019 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Agrawal, Piyush
Kumar, Sumit
Singh, Archana
Raghava, Gajendra P. S.
Singh, Indrakant K.
NeuroPIpred: a tool to predict, design and scan insect neuropeptides
title NeuroPIpred: a tool to predict, design and scan insect neuropeptides
title_full NeuroPIpred: a tool to predict, design and scan insect neuropeptides
title_fullStr NeuroPIpred: a tool to predict, design and scan insect neuropeptides
title_full_unstemmed NeuroPIpred: a tool to predict, design and scan insect neuropeptides
title_short NeuroPIpred: a tool to predict, design and scan insect neuropeptides
title_sort neuropipred: a tool to predict, design and scan insect neuropeptides
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6435694/
https://www.ncbi.nlm.nih.gov/pubmed/30914676
http://dx.doi.org/10.1038/s41598-019-41538-x
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