Format

Send to

Choose Destination
Molecules. 2017 Aug 30;22(9). pii: E1432. doi: 10.3390/molecules22091432.

Soluble Epoxide Hydrolase Inhibitory Activity of Components Isolated from Apios americana Medik.

Author information

1
Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeoungeup, Jeollabuk-do 56212, Korea. oasis5325@gmail.com.
2
Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeoungeup, Jeollabuk-do 56212, Korea. khy5012@kaeri.re.kr.
3
Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeoungeup, Jeollabuk-do 56212, Korea. sykang@kaeri.re.kr.
4
College of Pharmacy, Chungnam National University, Daejeon 34134, Korea. yhk@cnu.ac.kr.
5
Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeoungeup, Jeollabuk-do 56212, Korea. chjin@kaeri.re.kr.

Abstract

A new compound 1, 5-methoxy-2,5,7,4'-tetrahydroxy-coumaronochromone, along with seven known compounds (2-8), were isolated from Apios americana using open column chromatography. Their structures were established based on an analysis of 1D and 2D NMR, and MS spectra. Among these, two compounds 1 and 2 showed inhibitory activity on soluble epoxide hydrolase (sEH) at a concentration below 50 μM. The respective competitive (1) and mixed (2) inhibitors were revealed to have Ki values of 21.0 ± 0.8 and 14.5 ± 1.5 μM, based on the Dixon plot. The potential inhibitor (2) was visually presented in a predicted binding pose in the receptor by molecular docking. Additionally, molecular dynamics were performed for a detailed understanding of their complex by Gromacs 4.6.5 package.

KEYWORDS:

Apios americana; leguminosae; molecular simulation; sEH inhibitor

PMID:
28867792
PMCID:
PMC6151598
DOI:
10.3390/molecules22091432
[Indexed for MEDLINE]
Free PMC Article

Supplemental Content

Full text links

Icon for Multidisciplinary Digital Publishing Institute (MDPI) Icon for PubMed Central
Loading ...
Support Center