Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2016 May 9;6:25694. doi: 10.1038/srep25694

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

Copyright © 2016, Macmillan Publishers Limited

This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/

PMC Copyright notice

(A)Schematic view of virtual screening workflow on human ABCB1 and human ABCG2. (B) The sensitization effects of virtual screened compounds on SW620/Ad300 towards doxorubicin. (C) The sensitization effects of virtual screened compounds on NCI-H460/MX20 cells towards mitoxantrone. (D) Chemical structure of bafetinib. (E) Binding geometry of bafetinib into the ABCB1 binding pocket by the Glide docking algorithms. Residues of the binding pocket are highlighted in red according to their per-residue interaction scores. Residue labels are omitted for better view except important residues suggested by per-residue interaction or residues contributed in polar interactions. Carbon atoms of bafetinib are highlighted in orange. Values of the relevant distances are given in Å. (F) Binding geometry of bafetinib into ABCG2 binding pocket. Color scheme is same as that in panel (E).