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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...

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Autores principales: Kandoussi, Ilham, Lakhlili, Wiame, Taoufik, Jamal, Ibrahimi, Azeddine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2017
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.
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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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