Project titles for:
Project titles for: 2007-09
- Comparison of software for Analysis of Molecular Marker Data
- In silico Prediction of miRNA in Rice Genome
- Web Tools for Bioinformatics
- In silico Structure Prediction of enzyme Arsenite methyltransferase
- Comparison of various software for QTL Analysis
- QSAR studies of Tuberculosis Inhibitors
- Determination of common transcription factor binding site in promoter region of abiotic stress resistance gene in rice
- SNP Mining in Rice Genome
- Protein Modelling of Betaine Aldehyde Dehydrogenase-2 in Rice
- Data Mining of Chemical Substructures for Biological Efficacy
- Plant Disease Database mined from PubMed
- Comparison of Protein Structure Prediction Methods
- Virtual High Throughput Screening for Influenza Virus Inhibitors
- Combinatorial Libraries for Screening against Tuberculosis Inhibitors
Influenza virus H5N1 appears to be a systemic infection in both human and animal cases. In humans the trachea, brain, and intestines may be infected in addition to the lungs. It appears that the virus may also spread to other organs, such as the kidneys and liver, as has also been demonstrated in animals. Timely suppression of viral replication is the mainstay of therapy in H5N1 infection. Oseltamivir, a neuraminidase inhibitor is the principal antiviral agent of choice because many H5N1 isolates are resistant to amantadines. The NA protein is a sialidase that cleaves the HA of progeny virions from the sialic acid-containing receptors on the surface of the host cells, thus separating the particles from the infected cells in which they were generated. To overcome all the above problems attempts have been made to find the molecules which can block the activity of the enzyme Neuraminidase, the major enzyme for virus replication. Virtual High-throughput screening has been advantageous over traditional methods of screening in the terms of both time and money. During the course of present study, a diversity set of 1, 27,000 molecules were scanned using DOCK 6.2. Twelve molecules were found to have docked at the active sites of neuraminidase. In which five molecules docked at Arg-118 and Arg-224 while the remaining molecules show best docking at Arg371. These compounds can act as potential lead compounds. These compounds show best docking with active site of neuraminidase.Each molecule gave a good number of conformations showing the flexible behavior of the ligand The total energy of receptor-ligand complexes in the best fit mode has also been calculated.