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. 2013 Nov 11;9(18):889-95.
doi: 10.6026/97320630009889. eCollection 2013.

Flavonoid from Carica papaya inhibits NS2B-NS3 protease and prevents Dengue 2 viral assembly

Padmanaban Senthilvel  1 , Pandian Lavanya, Kalavathi Murugan Kumar, Rayapadi Swetha, Parimelzaghan Anitha, Susmita Bag, Sundaramoorthy Sarveswari, Vijayaparthasarathi Vijayakumar, Sudha Ramaiah, Anand Anbarasu
Affiliations

Flavonoid from Carica papaya inhibits NS2B-NS3 protease and prevents Dengue 2 viral assembly

Padmanaban Senthilvel et al. Bioinformation. .

Abstract

Dengue virus belongs to the virus family Flaviviridae. Dengue hemorrhagic disease caused by dengue virus is a public health problem worldwide. The viral non structural 2B and 3 (NS2B-NS3) protease complex is crucial for virus replication and hence, it is considered to be a good anti-viral target. Leaf extracts from Carica papaya is generally prescribed for patients with dengue fever, but there are no scientific evidences for its anti-dengue activity; hence we intended to investigate the anti-viral activity of compounds present in the leaves of Carica papaya against dengue 2 virus (DENV-2). We analysed the anti-dengue activities of the extracts from Carica papaya by using bioinformatics tools. Interestingly, we find the flavonoid quercetin with highest binding energy against NS2B-NS3 protease which is evident by the formation of six hydrogen bonds with the amino acid residues at the binding site of the receptor. Our results suggest that the flavonoids from Carica papaya have significant anti-dengue activities.

Abbreviations: ADME - Absorption, distribution, metabolism and excretion, BBB - Blood brain barrier, CYP - Cytochrome P450, DENV - - Dengue virus, DHF - Dengue hemorrhagic fever, DSS - Dengue shock syndrome, GCMS - - Gas chromatography- Mass spectrometry, MOLCAD - Molecular Computer Aided Design, NS - Non structural, PDB - Protein data bank, PMF - Potential Mean Force.

Keywords: ADMET; Carica papaya; Dengue virus; NS2B-NS3 protease; Quercetin.

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Figures

Figure 1
Figure 1
Compounds from Carica papaya leaf extract.
Figure 2
Figure 2
Docked structure of Dengue virus NS2B-NS3 protease with Quercetin
Figure 3
Figure 3
Hydrogen bonding interactions between the compound quercetin and NS2B-NS3 protease
See this image and copyright information in PMC

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