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Title

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

 

Authors

Padmanaban Senthilvel1, Pandian Lavanya1, Kalavathi Murugan Kumar1, Rayapadi Swetha1, Parimelzaghan Anitha1, Susmita Bag1, Sundaramoorthy Sarveswari2, Vijayaparthasarathi Vijayakumar2, Sudha Ramaiah1 & Anand Anbarasu1,2*

 

Affiliation

1Medical & Biological Computing Laboratory, School of Biosciences and Technology, VIT University, Vellore 632014, Tamil Nadu, India; 2Centre for Organic and Medicinal Chemistry, VIT University, Vellore 632 014, India

 

Email

aanand@vit.ac.in; *Corresponding author

 

Article Type

Hypothesis

 

Date

Received September 28, 2013; Accepted September 30, 2013; Published November 11, 2013

 

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

Dengue virus, Carica papaya, Quercetin, ADMET, NS2B-NS3 protease.

 

Citation

Senthilvel et al. Bioinformation 9(18): 889-895 (2013)

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.