《Table 2Detailed binding modes of ligands with P-gp and LibDock scores.》

  提示：宽带有限、当前游客访问压缩模式

本系列图表出处文件名：随高清版一同展现

《Mechanism underlying bergapten-mediated regulation of vincristine transport in MDCK-MDR1 cells》

1. 获取 高清版本忘记账户？点击这里登录

1. 下载图表忘记账户？点击这里登录

LibDock（Discovery Studio version 4.0）is a commercial software for docking ligands onto the active site of a protein.A hotspot map that includes polar and apolar groups in the active site of the protein was calculated and used to align the ligands to form favorable interactions.Finally，the map minimized all of the ligand positions and ranked them based on the ligand score（Sarvagalla et al.，2005；Shityakov&F?rster，2013；Usha et al.，2014）.The binding pocket and drug-binding residues of P-gp can be observed in Fig.2，and the docking analysis results were shown in Table 2.The resultsrevealed the interaction and identified the binding site between bergapten and P-gp.The interactions between small molecules and pocket residues were numerous.The LibDock score obtained for verapamil（Ver）was significantly higher than that found for bergapten，indicating that the binding force between Ver and P-gp was significantly stronger than that between bergapten and P-gp.