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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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Detalles Bibliográficos
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
Descripción
Sumario: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.