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Docking analysis of verteporfin with YAP WW domain
The YAP oncogene is a known cancer target. Therefore, it is of interest to understand the molecular docking interaction of verteporfin (a derivative of benzo-porphyrin) with the WW domain of YAP (clinically used for photo-dynamic therapy in macular degeneration) as a potential WW domain-ligand modul...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Biomedical Informatics
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5602291/ https://www.ncbi.nlm.nih.gov/pubmed/28943729 http://dx.doi.org/10.6026/97320630013237 |
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author | Kandoussi, Ilham Lakhlili, Wiame Taoufik, Jamal Ibrahimi, Azeddine |
author_facet | Kandoussi, Ilham Lakhlili, Wiame Taoufik, Jamal Ibrahimi, Azeddine |
author_sort | Kandoussi, Ilham |
collection | PubMed |
description | The YAP oncogene is a known cancer target. Therefore, it is of interest to understand the molecular docking interaction of verteporfin (a derivative of benzo-porphyrin) with the WW domain of YAP (clinically used for photo-dynamic therapy in macular degeneration) as a potential WW domain-ligand modulator by inhibition. A homology protein SWISS MODEL of the human YAP protein was constructed to dock (using AutoDock vina) with the PubChem verteporfin structure for interaction analysis. The docking result shows the possibilities of verteporfin interaction with the oncogenic transcription cofactor YAP having WW1 and WW2 domains. Thus, the ability of verteporfin to bind with the YAP WW domain having modulator activity is implied in this analysis. |
format | Online Article Text |
id | pubmed-5602291 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | Biomedical Informatics |
record_format | MEDLINE/PubMed |
spelling | pubmed-56022912017-09-22 Docking analysis of verteporfin with YAP WW domain Kandoussi, Ilham Lakhlili, Wiame Taoufik, Jamal Ibrahimi, Azeddine Bioinformation Hypothesis The YAP oncogene is a known cancer target. Therefore, it is of interest to understand the molecular docking interaction of verteporfin (a derivative of benzo-porphyrin) with the WW domain of YAP (clinically used for photo-dynamic therapy in macular degeneration) as a potential WW domain-ligand modulator by inhibition. A homology protein SWISS MODEL of the human YAP protein was constructed to dock (using AutoDock vina) with the PubChem verteporfin structure for interaction analysis. The docking result shows the possibilities of verteporfin interaction with the oncogenic transcription cofactor YAP having WW1 and WW2 domains. Thus, the ability of verteporfin to bind with the YAP WW domain having modulator activity is implied in this analysis. Biomedical Informatics 2017-07-31 /pmc/articles/PMC5602291/ /pubmed/28943729 http://dx.doi.org/10.6026/97320630013237 Text en © 2017 Biomedical Informatics http://creativecommons.org/licenses/by/3.0/ This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License. |
spellingShingle | Hypothesis Kandoussi, Ilham Lakhlili, Wiame Taoufik, Jamal Ibrahimi, Azeddine Docking analysis of verteporfin with YAP WW domain |
title | Docking analysis of verteporfin with YAP WW domain |
title_full | Docking analysis of verteporfin with YAP WW domain |
title_fullStr | Docking analysis of verteporfin with YAP WW domain |
title_full_unstemmed | Docking analysis of verteporfin with YAP WW domain |
title_short | Docking analysis of verteporfin with YAP WW domain |
title_sort | docking analysis of verteporfin with yap ww domain |
topic | Hypothesis |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5602291/ https://www.ncbi.nlm.nih.gov/pubmed/28943729 http://dx.doi.org/10.6026/97320630013237 |
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