|
KMID : 1059520230670040226
|
|
Journal of the Korean Chemical Society
2023 Volume.67 No. 4 p.226 ~ p.235
|
|
|
Flavonoids as Novel Therapeutic Agents Against Chikungunya Virus Capsid Protein: A Molecular Docking Approach
|
|
E. Vadivel
Gundeep Ekka
J. Fermin Angelo Selvin
|
|
|
Abstract
|
|
|
Chikungunya fever has a high morbidity rate in humans and is caused by chikungunya virus. There are no treatments available until now for this particular viral disease. The present study was carried out by selecting 19 flavonoids, which are available naturally in fruits, vegetables, tea, red wine and medicinal plants. The molecular docking of selected 19 flavonoids was carried out against the Chikungunya virus capsid protein using the Autodock4.2 software. Binding affinity analysis based on the Intermolecular interactions such as Hydrogen bonding and hydrophobic interactions and drug-likeness properties for all the 19 flavonoids have been carried out and it is found that the top four molecules are Chrysin, Fisetin, Naringenin and Biochanin A as they fit to the chikungunya protein and have binding energy of -8.09, -8.01, -7.6, and 7.3 kcal/mol respectively.
This result opens up the possibility of applying these compounds in the inhibition of chikungunya viral protein.
|
|
|
KEYWORD
|
|
|
Binding affinity using Autodock, Chikungunya virus capsid protein, Molecular docking of flavonoids, Biochanin A, Chrysin, Fisetin and Naringenin
|
|
|
FullTexts / Linksout information
|
|
|
|
|
|
Listed journal information
|
|
|
|
|