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A Combinatorial approach: To design inhibitory molecules on Hemagglutinin protein of H1N1 virus (Swine Flu)

The Hemagglutinin (HA) is a protein of influenza A virus. It is present on the surface of influenza A virus and it is a glycoprotein. The HA is identified as potential drug target. H1N1 thiazolides, proved to be a potent drug in the inhibition of H1N1 replication. It is also known as inhibitor of ot...

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Autores principales: Prasad, Chekkara Venkata Satya Siva, Chaudhary, Kamal Kumar, Dinkar, Parul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3717184/
https://www.ncbi.nlm.nih.gov/pubmed/23888097
http://dx.doi.org/10.6026/97320630009565
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author Prasad, Chekkara Venkata Satya Siva
Chaudhary, Kamal Kumar
Dinkar, Parul
author_facet Prasad, Chekkara Venkata Satya Siva
Chaudhary, Kamal Kumar
Dinkar, Parul
author_sort Prasad, Chekkara Venkata Satya Siva
collection PubMed
description The Hemagglutinin (HA) is a protein of influenza A virus. It is present on the surface of influenza A virus and it is a glycoprotein. The HA is identified as potential drug target. H1N1 thiazolides, proved to be a potent drug in the inhibition of H1N1 replication. It is also known as inhibitor of other strains of influenza A virus. Thiazolide drug represses viral HA's maturation at a level which exists just before the resistance from digestion of endoglycosidase-H and thereby it hampers, HA insertion in host membrane. Blocking the appropriate active site of hemagglutinin protein helps in the disease control. In the present work, we have generated diverse combinatorial library based ligands on known inhibitor thiazolides and they were used for virtual screening by Molegro virtual docker program. K-means clustering approach was used for finding new inhibitory molecules with more appropriate features. These resulted molecules are may be helpful in the treatment of swine flu and many other related diseases.
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spelling pubmed-37171842013-07-25 A Combinatorial approach: To design inhibitory molecules on Hemagglutinin protein of H1N1 virus (Swine Flu) Prasad, Chekkara Venkata Satya Siva Chaudhary, Kamal Kumar Dinkar, Parul Bioinformation Hypothesis The Hemagglutinin (HA) is a protein of influenza A virus. It is present on the surface of influenza A virus and it is a glycoprotein. The HA is identified as potential drug target. H1N1 thiazolides, proved to be a potent drug in the inhibition of H1N1 replication. It is also known as inhibitor of other strains of influenza A virus. Thiazolide drug represses viral HA's maturation at a level which exists just before the resistance from digestion of endoglycosidase-H and thereby it hampers, HA insertion in host membrane. Blocking the appropriate active site of hemagglutinin protein helps in the disease control. In the present work, we have generated diverse combinatorial library based ligands on known inhibitor thiazolides and they were used for virtual screening by Molegro virtual docker program. K-means clustering approach was used for finding new inhibitory molecules with more appropriate features. These resulted molecules are may be helpful in the treatment of swine flu and many other related diseases. Biomedical Informatics 2013-06-29 /pmc/articles/PMC3717184/ /pubmed/23888097 http://dx.doi.org/10.6026/97320630009565 Text en © 2013 Biomedical Informatics This is an open-access article, which permits unrestricted use, distribution, and reproduction in any medium, for non-commercial purposes, provided the original author and source are credited.
spellingShingle Hypothesis
Prasad, Chekkara Venkata Satya Siva
Chaudhary, Kamal Kumar
Dinkar, Parul
A Combinatorial approach: To design inhibitory molecules on Hemagglutinin protein of H1N1 virus (Swine Flu)
title A Combinatorial approach: To design inhibitory molecules on Hemagglutinin protein of H1N1 virus (Swine Flu)
title_full A Combinatorial approach: To design inhibitory molecules on Hemagglutinin protein of H1N1 virus (Swine Flu)
title_fullStr A Combinatorial approach: To design inhibitory molecules on Hemagglutinin protein of H1N1 virus (Swine Flu)
title_full_unstemmed A Combinatorial approach: To design inhibitory molecules on Hemagglutinin protein of H1N1 virus (Swine Flu)
title_short A Combinatorial approach: To design inhibitory molecules on Hemagglutinin protein of H1N1 virus (Swine Flu)
title_sort combinatorial approach: to design inhibitory molecules on hemagglutinin protein of h1n1 virus (swine flu)
topic Hypothesis
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3717184/
https://www.ncbi.nlm.nih.gov/pubmed/23888097
http://dx.doi.org/10.6026/97320630009565
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