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Docking analysis of verteporfin with YAP WW domain.

ABSTRACT: 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.

SUBMITTER: Kandoussi I

PROVIDER: S-EPMC5602291 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature

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Docking analysis of verteporfin with YAP WW domain.

Kandoussi Ilham I Lakhlili Wiame W Taoufik Jamal J Ibrahimi Azeddine A

Bioinformation 20170731 7

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 r ...[more]

PMID: 28943729

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