Project titles for:
Project titles for: 2005-07
- Virtual Screening for Inhibitors against NS3 protease of dengue virus
- Virtual Screening of Tuberculosis Inhibitors
- Determination of Sequence Homology in Promoter region of drought and salt responsive genes in rice and/or cereals
- Designing of Nanobody against Dandruff which works under harsh conditions
- In silico Designing of Clinically Robust VHH antibody Against Rotavirus
- Phylogenetic Analysis of Bluetongue Virus using VP2 and VP7 genes
- Phylogenetic Analysis of Rotavirus using VP4 and VP7 gene segments
- Pharmacophore based Screening of HIV I Reverse Transcriptase Inhibitors
- Rice Genome Search for BAD -2 Homologous genes
- Putative functional annotation of genes near BAD-2 locus of rice chromosome 8
- Bioinformatics Web Tools
In the present work on “Pharmacophore based screening of HIV-1 RT inhibitors”, ligand based approach for pharmacophore development was presented to search the drug leads for human immunodeficiency virus type 1 reverse transcriptase (HIV-1 RT) using the commercially available drugs and the other known actives. This included activity data (-log IC50 values) and pharmacophore model generated using MOE and the model was refined by adding constraints. This pharmacophore model was used as a query for database searching and the encouraging results were obtained. Further refining of the query led to a considerable increase in enrichment factor thereby generating the more restricted hits. Out of 44 molecules, 12 were found to satisfy the query. The hit molecules included three commercially available drugs from the training set and rest nine molecules from the test set can be used as potential lead compounds. The active compounds were nitrogen heterocyclic and ketone derivatives. The strategy is quite attractive in drug lead exploration and makes optimal use of existing resources.