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

. 2021 Jan 14;8:624678. doi: 10.3389/fchem.2020.624678

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

Copyright © 2021 Garcia, Oliveira, Jesus, Souza, Sodero, Vermelho, Leal, Souza, Miranda, Pinheiro and Rodrigues.

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

Binding mode of chalcone derivatives obtained by molecular docking. The superposition of the final docking pose of each inhibitor docked into the active site of LiARG is shown in the left. The three-dimensional model of LiARG is displayed in cartoon representation. α-Helices are colored green, β-sheets are colored yellow, and loops are colored gray. The molecular structures of chalcone derivatives are shown in sticks representation and colored accordingly: orange (LC32), cyan (LC39), and magenta (LC41). LiARG amino acid residues that directly engage in inhibitor binding are marked yellow and labeled. Hydrogen bonds are shown as dashed lines and colored green.