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 Jan 27;27(3):853. doi: 10.3390/molecules27030853

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

Molecular modeling of cinnamon essential oil constituents docked with alpha-glucosidase. (A) Alpha-glucosidase antagonist acarbose and essential oil compounds cinnamaldehyde, beta-caryophyllene, and eugenol docked in the active site of alpha-glucosidase. (B) Close view of alpha-glucosidase antagonist acarbose and essential oil compounds cinnamaldehyde, beta-caryophyllene, and eugenol docked in the active site of alpha-glucosidase, specifically, near residues HIS 1584, TRP 1523, TRP 1418, ARG 1510, TRP 1355, PHE 1559, ASP 1526, TRP 1369, and PRO 1159. (C) Acarbose docked in the active pocket of alpha-glucosidase, with a binding affinity of −8.3 kcal/mol. (D) Cinnamaldehyde docked in the active pocket of alpha-glucosidase, with a binding affinity of −6.1 kcal/mol. (E) Beta-caryophyllene docked in the active pocket of alpha-glucosidase, with a binding affinity of −6.6 kcal/mol. (F) Eugenol docked in the active pocket of alpha-glucosidase, with a binding affinity of −6.7 kcal/mol.