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
Tuberculosis (TB), one of the oldest recorded human afflictions, is still one of the biggest killers among the infectious diseases, despite the worldwide use of a live attenuated vaccine and several antibiotics. New vaccines and drugs are needed to stem the worldwide epidemic of TB that kills two million people each year. Capsule formation in Mycobacterium is the main reason for its escape from drug candidates. Our aim is to design inhibitors for enzymes which may help in inhibition of disease wall. Enzymes help in inhibition are Enoyl-[acyl-carrier-protein] reductase [NADH] and serum albumin. During the course of present study, two combinatorial libraries of 3,31,776 molecules were designed and molecules was scanned Enoyl-[acyl-carrier-protein] reductase [NADH] and serum albumin respectively using DOCK 6.1. Fourteen molecules were found to have docked in their pockets with very low energies. These compounds can act as potential lead compounds. The active compounds founds having R-groups like carboxyl, aldehyde, amide, nitrogen heterocyclic etc. 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.