Current Bioinformatics

Yi-Ping Phoebe Chen
Department of Computer Science and Information Technology
La Trobe University
Melbourne
Australia

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Structure-Based Discovery of Anti-Viral Compounds for Hepatitis B & C, Human Immunodeficiency, and Dengue Viruses

Author(s): Devadasan Velmurugan, Udhayasuriyan Malar Selvi, Udhayakumar Mythily, Kutumba Rao, Ramaiah Rajarajeshwari, Sangeetha.

Abstract:

Viral diseases cause severe damage to human lives than any other microbes. Hepatitis is the inflammation of liver and currently six strains of viral hepatitis are identified. Infection by Hepatitis B Virus (HBV) and Hepatitis C Virus (HCV) causes serious mortality, morbidity and becomes a global health problem. Human Immunodeficiency Virus (HIV) is increasing in the world, with an estimation of 5.7 million cases of HIV infection in India. In addition to these viruses, Dengue virus, which belongs to the family Flaviviridae has also emerged as a global threat to humans and is a major emerging pathogen for which the development of vaccine and anti-viral therapy has seen a little success. The NS3 viral protease is a potential target for anti-viral drugs, since it is required for viral replication. As Dengue hemorrhage diseases are the life-threatening ones, attempts are being made worldwide to design inhibitors for DENV-2 NS2B-NS3 protease, DENV-4 NS3 protease-helicase as targets. In view of the above viral threats to human life, attempts are being made to come out with anti-viral compounds from natural resources and also from synthetic routes. Natural sources include compounds reported from Neem (Azadirachta indica), Bael (Aegle marmelos), Murraya koenigii, Heliopsis scabra, Taiwania cryptomerioides, edible fishes, and crab. Synthetic peptides and organic compounds are also attempted as inhibitors. Viral proteins are retrieved from Protein Data Bank (PDB) and docked with these lead compounds and the results are analyzed. All docking studies have been carried out using Schrödinger USA suite of programs 2009.

Keywords: Anti-virals, DENV, HBV, HCV, natural resources, structure based drug design, Human Immunodeficiency Virus, Dengue hemorrhage diseases, Protein Data Bank, Taiwania cryptomerioides

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Article Details

VOLUME: 7
ISSUE: 2
Year: 2012
Page: [187 - 211]
Pages: 25
DOI: 10.2174/157489312800604462
Price: $58