Inhibitory Activity of Flavonoids, Chrysoeriol and Luteolin-7-O-Glucopyranoside, on Soluble Epoxide Hydrolase from Capsicum chinense
Abstract
:1. Introduction
2. Materials and Methods
2.1. General Experimental Procedures
2.2. Plant Materials
2.3. Extraction and Isolation
2.4. sEH Assay and Kinetic Analysis
2.5. Docking Study of sEH With Inhibitor
2.6. Molecular Dynamic Study
2.7. Data Analysis
3. Results and Discussion
3.1. Isolation, Identification, and Enzyme Assay
3.2. Molecular Docking
3.3. Molecular Dynamics
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
References
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The Inhibitory Activity on sEH | ||
---|---|---|
IC50 (µg/mL) a | Binding Mode (µg/mL) | |
1 | 11.6 ± 2.9 | Non-competitive type (10.5 ± 3.2) |
2 | 14.4 ± 1.5 | Non-competitive type (11.9 ± 2.8) |
3 | 42.7 ± 3.5 | Non-competitive type (38.0 ± 4.1) |
AUDA b | 1.2 ± 1.2 (ng/mL) |
Hydrogen Bonds (Å) | π-π Interaction (Å) | Binding Energy (kcal/mol) | |
---|---|---|---|
1 | Asp496(1.7), Phe497(2.0), Trp525(2.2) | Phe497(6.7, 10.9) | −8.4 |
2 | Asp335(1.9,2.1), Leu417(1.9), Met419(2.0) | His420(12.9) | −7.6 |
Time (ns) | 1 | 2 |
---|---|---|
Amino Acid (Å) | Amino Acid (Å) | |
0 | Arg410(2.78), Tyr466(2.78) | His420(2.83), Ser415(2.80), Leu417(3.32), Tyr466(3.01) |
1 | Arg410(2.69,2.94), Phe497(2.94) | Phe267(3.20), Leu417(2.82), Trp525(3.01) |
2 | Arg410(3.06,3.28), Ser412(3.35) | Arg410(3.06), Ser415(2.87), Leu417(2.98), Met419(2.80) |
3 | Arg410(2.95) | Ser418(3.35), Met419(3.32), His420(3.15) |
4 | Arg410(2.74, 3.24), Ser412(3.21) | Arg410(3.29), Met419(3.30) |
5 | Arg410(3.17, 3.18) | |
6 | Arg410(3.07) | Met419(3.08) |
7 | Arg410(3.16), Ser412(2.89), Phe497(3.19) | Met419(3.03) |
8 | Arg410(3.21,3.04), Trp525(2.86) | Phe267(3.22) |
9 | Arg410(2.92), Ala411(3.04) | Leu417(2.92), Phe497(2.82,2.86), Lys495(2.94) |
10 | Arg410(2.61,3.10), Ala411(2.77) | Leu417(2.87), His420(3.18), Ser412(3.19), His524(3.18) |
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Kim, J.H.; Jin, C.H. Inhibitory Activity of Flavonoids, Chrysoeriol and Luteolin-7-O-Glucopyranoside, on Soluble Epoxide Hydrolase from Capsicum chinense. Biomolecules 2020, 10, 180. https://doi.org/10.3390/biom10020180
Kim JH, Jin CH. Inhibitory Activity of Flavonoids, Chrysoeriol and Luteolin-7-O-Glucopyranoside, on Soluble Epoxide Hydrolase from Capsicum chinense. Biomolecules. 2020; 10(2):180. https://doi.org/10.3390/biom10020180
Chicago/Turabian StyleKim, Jang Hoon, and Chang Hyun Jin. 2020. "Inhibitory Activity of Flavonoids, Chrysoeriol and Luteolin-7-O-Glucopyranoside, on Soluble Epoxide Hydrolase from Capsicum chinense" Biomolecules 10, no. 2: 180. https://doi.org/10.3390/biom10020180