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

. 2022 Mar 29;27(7):2212. doi: 10.3390/molecules27072212

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

© 2022 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

PMC Copyright notice

Three-dimensional view depicting molecular interaction of few top shortlisted polyphenols with the catalytic active site of PTP1B protein. (A) Morin (Glu115, Lys120, Asp181, Gly183, Arg221, Gln266). (B) Cianidanol (Glu115, Arg221, Gln262, Thr263). (C) Baicalein (Glu115, Lys116, Lys120, Cys215, Gly220, Arg221, Gln266). The dashed lines represent the bond formations between ligand and amino acids (protein). Color code representation: dark green—conventional H-bond; light green—van der Waals; pale green—Pi-Donor H-bond; purple—Pi-sigma bonds; dark orange—Pi-anion; light orange—Pi-cation; pink—Pi-alkyl.

Three-dimensional view depicting molecular interaction of few top shortlisted polyphenols with the catalytic active site of PTP1B protein. (A) Morin (Glu115, Lys120, Asp181, Gly183, Arg221, Gln266). (B) Cianidanol (Glu115, Arg221, Gln262, Thr263). (C) Baicalein (Glu115, Lys116, Lys120, Cys215, Gly220, Arg221, Gln266). The dashed lines represent the bond formations between ligand and amino acids (protein). Color code representation: dark green—conventional H-bond; light green—van der Waals; pale green—Pi-Donor H-bond; purple—Pi-sigma bonds; dark orange—Pi-anion; light orange—Pi-cation; pink—Pi-alkyl.