In Silico Biology of H1N1 : Molecular Modelling of Novel Receptors and Docking Studies of Inhibitors to Reveal New Insight in Flu Treatment
Joint Authors
Behera, Deepak Kumar
Padhi, Payodhar
Behera, Pabitra Mohan
Dixit, Anshuman
Acharya, Laxmikanta
Source
Journal of Biomedicine and Biotechnology
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-10-17
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
Influenza is an infectious disease caused by RNA viruses of the family Orthomyxoviridae.
The new influenza H1N1 viral stain has emerged by the genetic combination of genes from human, pig, and bird’s H1N1 virus.
The influenza virus is roughly spherical and is enveloped by a lipid membrane.
There are two glycoproteins in this lipid membrane; namely, hemagglutinin (HA) which helps in attachment of the viral strain on the host cell surface and neuraminidase (NA) that is responsible for initiation of viral infection.
We have developed homology models of both Hemagglutinin and Neuraminidase receptors from H1N1 strains in eastern India.
The docking studies of B-Sialic acid and O-Sialic acid in the optimized and energy-minimized homology models show important H-bonding interactions with ALA142, ASP230, GLN231, GLU232, and THR141.
This information can be used for structure-based and pharmacophore-based new drug design.
We have also calculated ADME properties (Human Oral Absorption (HOA) and % HOA) for Oseltamivir which have been subject of debate for long.
American Psychological Association (APA)
Behera, Deepak Kumar& Behera, Pabitra Mohan& Acharya, Laxmikanta& Dixit, Anshuman& Padhi, Payodhar. 2012. In Silico Biology of H1N1 : Molecular Modelling of Novel Receptors and Docking Studies of Inhibitors to Reveal New Insight in Flu Treatment. Journal of Biomedicine and Biotechnology،Vol. 2012, no. 2012, pp.1-7.
https://search.emarefa.net/detail/BIM-492724
Modern Language Association (MLA)
Behera, Deepak Kumar…[et al.]. In Silico Biology of H1N1 : Molecular Modelling of Novel Receptors and Docking Studies of Inhibitors to Reveal New Insight in Flu Treatment. Journal of Biomedicine and Biotechnology No. 2012 (2012), pp.1-7.
https://search.emarefa.net/detail/BIM-492724
American Medical Association (AMA)
Behera, Deepak Kumar& Behera, Pabitra Mohan& Acharya, Laxmikanta& Dixit, Anshuman& Padhi, Payodhar. In Silico Biology of H1N1 : Molecular Modelling of Novel Receptors and Docking Studies of Inhibitors to Reveal New Insight in Flu Treatment. Journal of Biomedicine and Biotechnology. 2012. Vol. 2012, no. 2012, pp.1-7.
https://search.emarefa.net/detail/BIM-492724
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-492724