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

. 2018 Sep 21;9:1059. doi: 10.3389/fphar.2018.01059

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

Copyright © 2018 Wu, Chen, Tan, Fan, Xie, Zhang, Chen, Li, Liu and Zhou.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

PMC Copyright notice

Molecular docking and simulation of the molecular dynamics. (A) Three-dimensional crystal structure of luteolin (ZINC18185774) in complex with TGFBR1 (PDB ID: 1PY5). Luteolin is shown in green, and the hydrogen bonds are indicated by sky-blue lines. (B) Surface presentation of the TGFBR1-luteolin complex crystal structure at 0 and 100 ns. (C) Plots of root mean square deviation (RMSD) of heavy atoms of TGFBR1 unbound (blue) and TGFBR1-luteolin complex (red). (D) Potential energy profiles of TGFBR1-free (blue) and TGFBR1-luteolin complex (red) during the 100-ns molecular dynamics simulation.