Garcinexanthone G, a Selective Butyrylcholinesterase Inhibitor from the Stem Bark of Garcinia atroviridis
Natural Product Sciences
;
: 88-92, 2018.
Article
in English
| WPRIM
| ID: wpr-741612
ABSTRACT
The present study was undertaken to investigate the isolated compounds from the stem bark of Garcinia atroviridis as potential cholinesterase inhibitors and the ligand-enzyme interactions of selected bioactive compounds in silico. The in vitro cholinesterase results showed that quercetin (3) was the most active AChE inhibitor (12.65 ± 1.57 µg/ml) while garcinexanthone G (6) was the most active BChE inhibitor (18.86 ± 2.41 µg/ml). It is noteworthy to note that compound 6 was a selective inhibitor with the selectivity index of 11.82. Molecular insight from docking interaction further substantiate that orientation of compound 6 in the catalytic site which enhanced its binding affinity as compared to other xanthones. The nature of protein-ligand interactions of compound 6 is mainly hydrogen bonding, and the hydroxyl group of compound 6 at C-10 is vital in BChE inhibition activity. Therefore, compound 6 is a notable lead for further drug design and development of BChE selective inhibitor.
Full text:
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Index:
WPRIM (Western Pacific)
Main subject:
Quercetin
/
In Vitro Techniques
/
Computer Simulation
/
Butyrylcholinesterase
/
Drug Design
/
Cholinesterase Inhibitors
/
Cholinesterases
/
Catalytic Domain
/
Garcinia
/
Xanthones
Language:
English
Journal:
Natural Product Sciences
Year:
2018
Type:
Article
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