Project titles for:
Project titles for: 2006-08
- Detection of putative miRNA sequences in rice genome
- QSAR Studies on Tuberculosis Inhibitors
- Eigenvalue analysis and its applications in Bioinformatics
- Parallel Implementation of DOCK Algorithm
- Comparative Analysis of Protein Classification Methods
- Identification of Neuraminidase inhibitors of Influenza virus
- Identification of Transcription factor binding sites in yeast
- Restriction site analysis of Rice genome
- Docking Studies on Tuberculosis Inhibitors
- Determination of sequence homology in promoter region for abiotic stress responsive genes in rice
- SNP mining in Chromosome no.8 of rice
- Annotation of EST Sequences present on Chromosome no. 1, 4 & 8 of Rice
- Function Prediction for genes near BAD-2 locus on Chromosome no. 8 of Rice
- Computational Prediction of Putative miRNA Candidates in Malarial Parasite Genome
- Multimedia database of fungal diseases in Rice and Wheat
- GePre: A Gene Prediction Tool
- SEALI: A Sequence Alignment Tool
- Tannase Structure Prediction
- Algorithms on PAM and BLOSUM Matrices
In the present study, a diversity set of 1,27,000 molecules was scanned using DOCK 6.2. and 85 hits of chemical compound were obtained, which docked into the Neuraminidase active site in first round of screening. Then in the second round of screening, dataset was refined by changing the parameters of docking and 53 hits of the first round of screening were provided as a database for docking. So finally 12 hits were obtained in the final round out of 53 , which docked at catalytic sites of Neuraminidase . Out of the 12 chemical compounds obtained only nine molecules docked at Arg 118, and other Three bounded in the catalytic pocket of Neuraminidase at Arg-371. These compounds can act as potential lead compounds. The active compounds found were polycyclic and nitrogen heterocyclic. Each molecule gave a good number of conformations showing the flexible behavior of the ligand. The total energy of receptor-ligand complexes in best fit mode has also been calculated.