Abstract
MOLECULAR DOCKING STUDY OF NATURAL COMPOUNDS AS NOVEL INHIBITORS OF NON STRUCTURAL PROTEINS (nsP2&nsP3) OF CHIKUNGUNYA VIRUS

*R. V. Ramalakshmi, V. Shunmathi, V. Kokila and Sonagunalan

ABSTRACT

Chikungunya is a viral disease transmitted to human beings through mosquito bite. Chikungunya virus a member of the alphavirus genus belongs to the family Togoviridae and it is primarily transmitted to humans by two main vectors, A. aegypti and A. albopictus. Chikungunya can cause fever, chills, nausea, vomiting, joint pain, head ache, and swollen in the joints The CHIKV mortality rate has been estimated to be 1:1000 and most of the deaths occur in neonates, adults with underlying conditions and the elderly. The NonStructuralProtein2 have been described as virulence factors responsible for the transcriptional and translational shutoff in infected host cells and the inhibition of interferon mediated antiviral responses contributing to the controlling of translational machinery by viral factors. The NonStructuralProtein3 plays a major role during infection and in the assembly of stress granules. Hence an insilico attempt was made to characterize nonstructural proteins to identify the potential drug to inhibit the protein. The plant based natural compounds for chikungunya were used as natural ligands for molecular docking process with glide (version 5.6) of Maestro (10.2) (Schrodinger suite). In this study, Cis caffeic acid which is a Alkaloid isolated from caffeine belonging to Coffee (Eucalyptus globules) was found to have a good inhibitory effect on NonStructuralProtein2. Chlorogenic Acid was isolated from Hibiscus sabdariffa a green coffee beans plant have good inhibition effect on Non Structural Protein 3. These natural derived plant compounds were found to posses good binding affinity with Nonstructural proteins of chikungunya.

Keywords: Chikungunya, Non structural proteins, molecular docking, Schrodinger suite.


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