Identification of neprilysin as a potential target of arteannuin using computational drug repositioning
ABSTRACT The discovery of arteannuin (qinghaosu) in the 20th Century was a major advance for medicine. Besides functioning as a malaria therapy, arteannuin is a pharmacological agent in a range of other diseases, but its mechanism of action remains obscure. In this study, the reverse docking server...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Universidade de São Paulo
2017-06-01
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| Series: | Brazilian Journal of Pharmaceutical Sciences |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502017000200614&lng=en&tlng=en |
| _version_ | 1819062545600741376 |
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| author | Xuan-Yi Ye Qing-Zhi Ling Shao-Jun Chen |
| author_facet | Xuan-Yi Ye Qing-Zhi Ling Shao-Jun Chen |
| author_sort | Xuan-Yi Ye |
| collection | DOAJ |
| description | ABSTRACT The discovery of arteannuin (qinghaosu) in the 20th Century was a major advance for medicine. Besides functioning as a malaria therapy, arteannuin is a pharmacological agent in a range of other diseases, but its mechanism of action remains obscure. In this study, the reverse docking server PharmMapper was used to identify potential targets of arteannuin. The results were checked using the chemical-protein interactome servers DRAR-CPI and DDI-CPI, and verified by AutoDock Vina. The results showed that neprilysin (also known as CD10), a common acute lymphoblastic leukaemia antigen, was the top disease-related target of arteannuin. The chemical-protein interactome and docking results agreed with those of PharmMapper, further implicating neprilysin as a potential target. Although experimental verification is required, this study provides guidance for future pharmacological investigations into novel clinical applications for arteannuin. |
| first_indexed | 2024-12-21T15:00:29Z |
| format | Article |
| id | doaj.art-b52cb65ec8d0433a861c485da73fb032 |
| institution | Directory Open Access Journal |
| issn | 2175-9790 |
| language | English |
| last_indexed | 2024-12-21T15:00:29Z |
| publishDate | 2017-06-01 |
| publisher | Universidade de São Paulo |
| record_format | Article |
| series | Brazilian Journal of Pharmaceutical Sciences |
| spelling | doaj.art-b52cb65ec8d0433a861c485da73fb0322022-12-21T18:59:37ZengUniversidade de São PauloBrazilian Journal of Pharmaceutical Sciences2175-97902017-06-0153210.1590/s2175-97902017000216087S1984-82502017000200614Identification of neprilysin as a potential target of arteannuin using computational drug repositioningXuan-Yi YeQing-Zhi LingShao-Jun ChenABSTRACT The discovery of arteannuin (qinghaosu) in the 20th Century was a major advance for medicine. Besides functioning as a malaria therapy, arteannuin is a pharmacological agent in a range of other diseases, but its mechanism of action remains obscure. In this study, the reverse docking server PharmMapper was used to identify potential targets of arteannuin. The results were checked using the chemical-protein interactome servers DRAR-CPI and DDI-CPI, and verified by AutoDock Vina. The results showed that neprilysin (also known as CD10), a common acute lymphoblastic leukaemia antigen, was the top disease-related target of arteannuin. The chemical-protein interactome and docking results agreed with those of PharmMapper, further implicating neprilysin as a potential target. Although experimental verification is required, this study provides guidance for future pharmacological investigations into novel clinical applications for arteannuin.http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502017000200614&lng=en&tlng=enArteannuin/chemical-protein interactomeComputational drug repositioningNeprilysin/identificationReverse docking |
| spellingShingle | Xuan-Yi Ye Qing-Zhi Ling Shao-Jun Chen Identification of neprilysin as a potential target of arteannuin using computational drug repositioning Brazilian Journal of Pharmaceutical Sciences Arteannuin/chemical-protein interactome Computational drug repositioning Neprilysin/identification Reverse docking |
| title | Identification of neprilysin as a potential target of arteannuin using computational drug repositioning |
| title_full | Identification of neprilysin as a potential target of arteannuin using computational drug repositioning |
| title_fullStr | Identification of neprilysin as a potential target of arteannuin using computational drug repositioning |
| title_full_unstemmed | Identification of neprilysin as a potential target of arteannuin using computational drug repositioning |
| title_short | Identification of neprilysin as a potential target of arteannuin using computational drug repositioning |
| title_sort | identification of neprilysin as a potential target of arteannuin using computational drug repositioning |
| topic | Arteannuin/chemical-protein interactome Computational drug repositioning Neprilysin/identification Reverse docking |
| url | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502017000200614&lng=en&tlng=en |
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