Flavonoid from <i>Carica papaya</i> inhibits NS2B-NS3 protease and prevents Dengue 2 viral assembly

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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 Anbarasu^1,2*
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.