维替泊芬与YAP WW结构域的对接分析。
Docking analysis of verteporfin with YAP WW domain.
作者信息
Kandoussi Ilham, Lakhlili Wiame, Taoufik Jamal, Ibrahimi Azeddine
机构信息
Laboratoire de Biotechnologie (MedBiotech), Faculté de Médecine et de Pharmacie de Rabat, Université Mohammed V Rabat, Morocco.
Laboratoire de Chimie thérapeutique Faculté de Médecine et de Pharmacie de Rabat, Université Mohammed V Rabat,Morocco.
出版信息
Bioinformation. 2017 Jul 31;13(7):237-240. doi: 10.6026/97320630013237. eCollection 2017.
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.
YAP癌基因是一个已知的癌症靶点。因此，了解维替泊芬（苯并卟啉衍生物）与YAP的WW结构域（临床上用于黄斑变性的光动力治疗）之间的分子对接相互作用，作为一种潜在的通过抑制作用调节WW结构域-配体的物质，具有重要意义。构建了人类YAP蛋白的同源蛋白SWISS模型，以与PubChem数据库中的维替泊芬结构进行对接（使用AutoDock vina），用于相互作用分析。对接结果显示了维替泊芬与具有WW1和WW2结构域的致癌转录辅因子YAP相互作用的可能性。因此，该分析暗示了维替泊芬与具有调节活性的YAP WW结构域结合的能力。
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